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CAS 85006-31-1
Also known as: 85006-31-1, Methyl3-amino-4-methylthiophene-2-carboxylate, 3-amino-4-methylthiophene-2-carboxylic acid methyl ester, 2-thiophenecarboxylic acid, 3-amino-4-methyl-, methyl ester, 3-aminoarticaine, Methyl 3-amino-4-methyl-2-thenoate
Molecular Formula
C7H9NO2S
Molecular Weight
171.22  g/mol
InChI Key
YICRPERKKBDRSP-UHFFFAOYSA-N
FDA UNII
3LA24473AS

1 2D Structure

CAS 85006-31-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 3-amino-4-methylthiophene-2-carboxylate
2.1.2 InChI
InChI=1S/C7H9NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,8H2,1-2H3
2.1.3 InChI Key
YICRPERKKBDRSP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CSC(=C1N)C(=O)OC
2.2 Other Identifiers
2.2.1 UNII
3LA24473AS
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 85006-31-1

2. Methyl3-amino-4-methylthiophene-2-carboxylate

3. 3-amino-4-methylthiophene-2-carboxylic Acid Methyl Ester

4. 2-thiophenecarboxylic Acid, 3-amino-4-methyl-, Methyl Ester

5. 3-aminoarticaine

6. Methyl 3-amino-4-methyl-2-thenoate

7. 3-amino-4-methyl-2-thiophenecarboxylic Acid Methyl Ester

8. Mfcd00051822

9. 3la24473as

10. Methyl 3-amino-4-methyl-2-thiophenecarboxylate

11. Methyl-3-amino-4-methylthiophene-2-carboxylate

12. Methyl 3-amino-4-methylthiophene-2-carboxylate (3-aminoarticaine)

13. Unii-3la24473as

14. Einecs 285-060-8

15. Articaine Impurity I

16. Tricyclohexyltinchloride

17. Schembl163725

18. Yicrperkkbdrsp-uhfffaoysa-

19. Zinc82002

20. Dtxsid50234070

21. Geo-01745

22. Akos004912331

23. Ac-8360

24. Ccg-243249

25. Cs-w020012

26. Fs-1510

27. Sdccgmls-0066226.p001

28. Sy012772

29. Db-030945

30. Methyl 3-amino-4-methylthiophenecarboxylate

31. Am20110219

32. Ft-0614987

33. M1772

34. Methyl 3-amino-4-methylthiophene-2-carboxlate

35. 06m311

36. Methyl 4-methyl-3-aminothiophene-2-carboxylate

37. Methyl 3-amino-4-methyl-2-thiophene Carboxylate

38. 2-methoxycarbonyl-3-amino-4-methylthiophene

39. Q-100858

40. Methyl 3-amino-4-methylthiophene-2-carboxylate, 97%

41. Q27257520

42. Articaine Hydrochloride Impurity I [ep Impurity]

43. Methyl 3-amino-thiophene-2-carboxylic Acid Methyl Ester

44. 3-amino-4-methyl-2-thiophene Carboxylic Acid Methyl Ester

45. 3-amino-4-methyl-thiophene-2-carboxylic Acid Methyl Ester

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 171.22 g/mol
Molecular Formula C7H9NO2S
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass171.03539970 g/mol
Monoisotopic Mass171.03539970 g/mol
Topological Polar Surface Area80.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
85006-31-1
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...
Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.
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85006-31-1
Huvepharma® Italia is a fast-growing global pharmaceutical company duly organized for developing, manufa...
Huvepharma® Italia is a fast-growing global pharmaceutical company duly organized for developing, manufacturing and marketing advanced intermediates and active pharmaceutical ingredients by chemical synthesis for both human and animal health. The focus is specifically on offering services for developing and industrializing new molecules for start-up companies, always operating in a certified GMP environment. Huvepharma® Italia is also particularly active with proven expertise in the fight against malaria disease. Huvepharma® Italia is a privately-owned company, headquartered in Garessio (CN) – Italy, employing about 150 people.
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Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is fo...
Jinan Chenghui Shuangda Chemical Co., Ltd is subordinate to Chengchuang Pharmaceutical Group, which is formally established in March, 2002. It is a high-tech enterprise professionally producing pharmaceutical intermediates and fine chemical products inland. The company is located in Chengchuang industrial park, high-tech development district, Ji’nan, the capital city of Shandong Province. It is 1km far from Longitude Ten Road which is the main road of Jinan city, 5km from high way surrounding Ji’nan city and 25km from Yaoqiang airport in Ji’nan. It has superior geographic location and the traffic is very convenient.
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