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CAS 55314-16-4
Also known as: 55314-16-4, 123367-26-0, (e)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one, 3-dimethylamino-1-(3-pyridyl)-2-propen-1-one, 3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one, (2e)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
Molecular Formula
C10H12N2O
Molecular Weight
176.21  g/mol
InChI Key
MZLRFUCMBQWLNV-FNORWQNLSA-N
FDA UNII
MD6L0C82BN

1 2D Structure

CAS 55314-16-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one
2.1.2 InChI
InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+
2.1.3 InChI Key
MZLRFUCMBQWLNV-FNORWQNLSA-N
2.1.4 Canonical SMILES
CN(C)C=CC(=O)C1=CN=CC=C1
2.1.5 Isomeric SMILES
CN(C)/C=C/C(=O)C1=CN=CC=C1
2.2 Other Identifiers
2.2.1 UNII
MD6L0C82BN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 55314-16-4

2. 123367-26-0

3. (e)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

4. 3-dimethylamino-1-(3-pyridyl)-2-propen-1-one

5. 3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

6. (2e)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

7. (e)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one

8. (2e)-3-(dimethylamino)-1-(3-pyridyl)prop-2-en-1-one

9. Mfcd00115180

10. 3-[3-(dimethylamino)acryloyl]pyridine

11. Md6l0c82bn

12. 2-(dimethylamino)vinyl 3-pyridyl Ketone

13. 3-dimethylamino-1-pyridin-3-yl-propenone

14. 2-propen-1-one, 3-(dimethylamino)-1-(3-pyridinyl)-, (e)-

15. (e)-3-dimethylamino-1-(pyridin-3-yl)prop-2-en-1-one

16. 2-propen-1-one, 3-(dimethylamino)-1-(3-pyridinyl)-, (2e)-

17. (2e)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-ene-1-one

18. 3-(dimethylamino)-1-(3-pyridinyl)-2-propene-1-one

19. 3-dimethylamino-1-(3-pyridyl)-2-propene-1-one

20. Unii-md6l0c82bn

21. Ec 611-255-8

22. Methyl N-methylamidomalonate

23. 3-(dimethylamino)-1-(3-pyridyl)prop-2-en-1-one

24. Zinc109849

25. Act10865

26. Albb-015490

27. Bcp26598

28. Cs-m1464

29. Yea36726

30. Ac7575

31. Bbl010460

32. Stk719874

33. Akos005070316

34. Ac-5293

35. Ps-11484

36. Aminovinyl Nicotinone [usp Impurity]

37. Am20061320

38. J3.562.572k

39. 4g-951

40. 314p164

41. A890786

42. Imatinib Mesylate Impurity A [ep Impurity]

43. Imatinib Related Compound A [usp Impurity]

44. J-501942

45. (e)-1-(3-pyridyl)-3-dimethylamino-2-propene-1-one

46. 2-propen-1-one, 3-(dimethylamino)-1-(3-pyridinyl)

47. 2-propen-1-one,3-(dimethylamino)-1-(3-pyridinyl)-

48. 3-(dimethylamino)-1-(3- Pyridinyl)-2-propen-1-one

49. 3-(dimethylamino)-1-(pyridin-3-yl) Prop-2-en-1-one

50. F2135-0440

51. (2e)-3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one #

52. (2e)-3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one, Aldrichcpr

53. 2-propen-1-one,3-(dimethylamino)-1-(3-pyridinyl)-, (e)-;2-propen-1-one,3-(dimethylamino)-1-(3-pyridinyl)-, (2e)-;(e)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one;

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 176.21 g/mol
Molecular Formula C10H12N2O
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass176.094963011 g/mol
Monoisotopic Mass176.094963011 g/mol
Topological Polar Surface Area33.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...
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Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...
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Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderaba...
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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
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Imatinib Mesylate
RELIANCE RASAYAN PVT. LTD (RRPL) was established in 1988 and in 2016 entered in pharma solutions business...
RELIANCE RASAYAN PVT. LTD (RRPL) was established in 1988 and in 2016 entered in pharma solutions business. Thus started our journey of developing advanced pharmaceutical intermediates, APIs and Impurities. We provide cost effective services and scientific solutions. Our product development capabilities span the areas of Synthetic Organic Chemistry, Analytical Chemistry, Process Engineering, Intellectual Property Management, Polymorphism, Project Management and Regulatory Science. Our R&D Centre has capabilities in carrying out a wide range of reactions.
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350-03-8
Nilotinib
RELIANCE RASAYAN PVT. LTD (RRPL) was established in 1988 and in 2016 entered in pharma solutions business...
RELIANCE RASAYAN PVT. LTD (RRPL) was established in 1988 and in 2016 entered in pharma solutions business. Thus started our journey of developing advanced pharmaceutical intermediates, APIs and Impurities. We provide cost effective services and scientific solutions. Our product development capabilities span the areas of Synthetic Organic Chemistry, Analytical Chemistry, Process Engineering, Intellectual Property Management, Polymorphism, Project Management and Regulatory Science. Our R&D Centre has capabilities in carrying out a wide range of reactions.
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152460-10-1
Imatinib Mesylate
Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a servi...
Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a service-oriented system that has allowed it to become a leading manufacturer and supplier of raw materials for Pharmaceutical and Chemical companies globally and regionally. During a very successful period of business incubation within the Group, Riddhesh Pharmachem has developed its substantial sector-specific expertise and established its reputation. The business has moved into the global market and integrated into worldwide manufacturers and suppliers which are looking to contract manufacturers or suppliers from India.
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106261-49-8
Imatinib Mesylate
Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a servi...
Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a service-oriented system that has allowed it to become a leading manufacturer and supplier of raw materials for Pharmaceutical and Chemical companies globally and regionally. During a very successful period of business incubation within the Group, Riddhesh Pharmachem has developed its substantial sector-specific expertise and established its reputation. The business has moved into the global market and integrated into worldwide manufacturers and suppliers which are looking to contract manufacturers or suppliers from India.
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Imatinib Mesylate
Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a servi...
Riddhesh Pharmachem is a contract research and contract manufacturer from India. It has developed a service-oriented system that has allowed it to become a leading manufacturer and supplier of raw materials for Pharmaceutical and Chemical companies globally and regionally. During a very successful period of business incubation within the Group, Riddhesh Pharmachem has developed its substantial sector-specific expertise and established its reputation. The business has moved into the global market and integrated into worldwide manufacturers and suppliers which are looking to contract manufacturers or suppliers from India.
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25952-53-8
Imatinib Mesylate
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.
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3934-20-1
Imatinib Mesylate
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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641569-96-2
Nilotinib
Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food a...
Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food additives. Meanwhile, it is assisting global pharmaceutical companies to get the domestic registration of their finished dosage for their international expansion. Our USFDA approved products Flumazenil, Granisetron HCl, Granisetron Base, Docetaxel Anhydrous, Irinotecan HCl, Dasatinib Monohydrate, Oxaliplatin and Temozolomide have been recognized by our customers globally. In addition, our Amisulpride API acquired CEP, UK GMP & USDMF.
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641569-94-0
Nilotinib
Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food a...
Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food additives. Meanwhile, it is assisting global pharmaceutical companies to get the domestic registration of their finished dosage for their international expansion. Our USFDA approved products Flumazenil, Granisetron HCl, Granisetron Base, Docetaxel Anhydrous, Irinotecan HCl, Dasatinib Monohydrate, Oxaliplatin and Temozolomide have been recognized by our customers globally. In addition, our Amisulpride API acquired CEP, UK GMP & USDMF.
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4637-24-5
Nilotinib
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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Nilotinib
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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Imatinib Mesylate
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.
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152460-10-1
Imatinib Mesylate
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.
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Imatinib Mesylate
Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutic...
Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutical Ingredients (APIs) and Intermediates. We also represent some well-known GMP factories in China for their sales and business development to global market. Most of the products have USDMF, EDMF, CEP, etc, and we have a professional regulatory affairs team who will provide you the documentation as per relative authority's requirement and accelerate your drug application process. Our product category includes Oncology, Anti-infective, Anti-diabetic, Prostaglandin, Immunosuppressant and Veterinary, etc.
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152460-09-8
Imatinib Mesylate
Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutic...
Synthland is an integrated pharmaceutical company that develops, produce and supplies Active Pharmaceutical Ingredients (APIs) and Intermediates. We also represent some well-known GMP factories in China for their sales and business development to global market. Most of the products have USDMF, EDMF, CEP, etc, and we have a professional regulatory affairs team who will provide you the documentation as per relative authority's requirement and accelerate your drug application process. Our product category includes Oncology, Anti-infective, Anti-diabetic, Prostaglandin, Immunosuppressant and Veterinary, etc.
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Nilotinib
Tivan Sciences is an API manufacturing company founded in January 2020 and located in Rajkot, Gujarat. Th...
Tivan Sciences is an API manufacturing company founded in January 2020 and located in Rajkot, Gujarat. The company is committed to developing high-quality products through robust in-house R&D which allows them to constantly innovate and create new products that meet the needs of the market. They have team expertise in organic chemistry, analytical chemistry, and chemical engineering. Additionally, they use state-of-the-art equipment and follow industry-standard procedures to ensure consistency and quality in our products.
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641569-94-0
Nilotinib
Tivan Sciences is an API manufacturing company founded in January 2020 and located in Rajkot, Gujarat. Th...
Tivan Sciences is an API manufacturing company founded in January 2020 and located in Rajkot, Gujarat. The company is committed to developing high-quality products through robust in-house R&D which allows them to constantly innovate and create new products that meet the needs of the market. They have team expertise in organic chemistry, analytical chemistry, and chemical engineering. Additionally, they use state-of-the-art equipment and follow industry-standard procedures to ensure consistency and quality in our products.
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