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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

CAS 55314-16-4
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

BUILDING BLOCK

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01

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EPS
Not Confirmed

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

CAS Number : 55314-16-4

End Use API :

About the Company : We are into manufacturing of bulk drug Intermediates and Active Pharmaceutical Ingredients (API). Our core competence is contract manufacturing for our clients who are looking for manuf...

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02

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EPS
Not Confirmed

(2E)-3-(Dimethylamino)-1-(3-Pyridyl)prtop-2-en-1-o...

CAS Number : 123367-26-0

End Use API :

About the Company : The Company was incorporated on 19.02.1993 to carry on the business of manufacturing of bulk drugs viz. Omeprazole,Ciprofloxacin, Dichloroflurobenzene, Naproxen, Benzimadizole, etc., ha...

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03

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EPS
Not Confirmed

3-( dimethylamino )-I-(3-pyridinyl)-2-propen-l-one

CAS Number : 55314-16-4

End Use API :

About the Company : Fujian South Pharmaceutical Co., Ltd. (Southern Pharmaceutical) was established in September 2001 and is located in Mingxi County, Fujian Province. After 16 years of development, Nanfa...

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04

Ocimum Labs

India
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EPS
Not Confirmed

1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one

CAS Number : 55314-16-4

End Use API :

About the Company : Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderabad-based firm focuses on process research and development, with a particular emph...

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05

Rampex Labs

India
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EPS
Not Confirmed

3-(Dimethylamino)-1-(Pyridin-3-yl) Prop-2-En-1-One

CAS Number : 55314-16-4

End Use API :

About the Company : We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations st...

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06

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EPS
Not Confirmed

3-(Dimethylamino)-1-(pyridine-3- yl)prop-2-en-1-on...

CAS Number : 55314-16-4

End Use API :

About the Company : 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 supp...

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07

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EPS
Not Confirmed

3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one

CAS Number : 55314-16-4

End Use API :

About the Company : 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-hou...

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END USE APIs

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