CAS 848133-35-7

Chemistry, 2 End Use API, 25 Related Intermediates

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Also known as: 848133-35-7, (e)-4-(dimethylamino)but-2-enoic acid hydrochloride, 98548-81-3, 4-(dimethylamino)but-2-enoic acid hydrochloride, (2e)-4-(dimethylamino)but-2-enoic acid hydrochloride, 1130155-48-4

Molecular Formula

C₆H₁₂ClNO₂

Molecular Weight

165.62 g/mol

InChI Key

UUHNQHFOIVLAQX-BJILWQEISA-N

FDA UNII

ZRA8B68TND

1 2D Structure

CAS 848133-35-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-4-(dimethylamino)but-2-enoic acid;hydrochloride

2.1.2 InChI

InChI=1S/C6H11NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-4H,5H2,1-2H3,(H,8,9);1H/b4-3+;

2.1.3 InChI Key

UUHNQHFOIVLAQX-BJILWQEISA-N

2.1.4 Canonical SMILES

CN(C)CC=CC(=O)O.Cl

2.1.5 Isomeric SMILES

CN(C)C/C=C/C(=O)O.Cl

2.2 Other Identifiers

2.2.1 UNII

ZRA8B68TND

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 848133-35-7

2. (e)-4-(dimethylamino)but-2-enoic Acid Hydrochloride

3. 98548-81-3

4. 4-(dimethylamino)but-2-enoic Acid Hydrochloride

5. (2e)-4-(dimethylamino)but-2-enoic Acid Hydrochloride

6. 1130155-48-4

7. 4-(dimethylamino)-2-butenoic Acid Hydrochloride

8. (e)-4-(dimethylamino)but-2-enoic Acid Xhydrochloride

9. 2-butenoic Acid, 4-(dimethylamino)-, Hydrochloride, (2e)-

10. Trans 4-dimethylaminocrotonic Acid Hydrochloride

11. Zra8b68tnd

12. (e)-4-(dimethylamino)-2-butenoic Acid Hydrochloride

13. (e)-4-(dimethylamino)but-2-enoic Acid;hydrochloride

14. Trans-4-dimethylaminocrotonic Acid, Hcl

15. (2e)-4-(dimethylamino)-2-butenoic Acid Hydrochloride

16. Trans-4-dimethylaminocrotonic Acid Hcl

17. 2-butenoic Acid, 4-(dimethylamino)-, Hydrochloride (1:1), (2e)-

18. Mfcd03695466

19. (e)-4-(dimethylamino)but-2-enoic Acid Hcl

20. Unii-zra8b68tnd

21. Trans-4-(dimethylamino)-2-butenoic Acid Hydrochloride

22. 4-dimethylaminocrotonicacidhcl

23. Schembl665365

24. Dtxsid101347107

25. Bcp05598

26. Ac-358

27. Akos015846406

28. Ss-4328

29. 4-dimethylaminocrotonic Acid Hydrochloride

30. As-75535

31. Trans-4-(dimethylamino)crotonic Acid Hcl

32. Db-007927

33. Am20120398

34. Cs-0132058

35. D5625

36. (2e)-4-(dimethylamino)but-2-enoic Acid Hcl

37. En300-74132

38. 4-dimethylamino-but-2-enoic Acid Hydrochloride

39. 133d357

40. A840937

41. A904857

42. A1-03193

43. J-501974

44. (e)-4-(dimethylamino) But-2-enoic Acid Hydrochloride

45. 4-(dimethylamino)-2-butenoic Acid Hydrochloride, 97%

46. (2e)-4-(dimethylamino)but-2-enoic Acid Hydrogenchloride

47. (e)-4-(dimethylamino)but-2-enoic Acid Hydrochloric Acid

48. (e)-4-(dimethylamino)-2-butenoic Acid Hydrochloride Salt

49. (e)-4-(dimethylamino)but-2-enoic Acid Hydrochloride Salt

2.4 Create Date

2010-05-14

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂ClNO₂
Molecular Weight	165.62 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.0556563 g/mol
Monoisotopic Mass	165.0556563 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Aarti Pharmalabs

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Trans 4-Dimethylamino crotonic acid hydrochloride

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CAS Number

848133-35-7

End Use API

Afatinib

About the Company

Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of API...

Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic & oncology products. It has 2 R&D centers & 3 cGMP plants successfully audited by the USFDA, EUGMP, EDQM, KFDA & COFEPRIS. It also offers CDMO services for generic APIs & NCEs, intermediates & key building blocks.

Note: None of the products will be supplied to countries in which this could be in conflict with existing patents. Further, any products under patent will be offered for R&D purposes only. However, the final responsibility lies with the buyer.

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Shanghai Fine Pharma

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Trans-4-Dimethylaminocrotonic acid hydrochloride

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CAS Number

848133-35-7

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Afatinib

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Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemic...

Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research and development system, advanced technology and equipment, and has a strong ability of independent research and development and innovation. The company has a complete sales network and a comprehensive service system. All kinds of chemical products sold are widely used in pharmaceutical enterprises, scientific research institutions, tertiary institutions, medical institutions, inspection and quarantine, analytical and testing enterprises, etc.

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trans-4-Dimethylaminocrotonic acid hydrochloride

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CAS Number

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End Use API

About the Company

Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplyin...

Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range like pharmaceuticals, agrochemicals, electronic chemicals, surfactants and other specialty chemicals.

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