CAS 693-05-0

Chemistry, 1 End Use API, 10 Related Intermediates

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Also known as: 693-05-0, 3-methylaminopropionitrile, 3-(methylamino)propionitrile, Propanenitrile, 3-(methylamino)-, N-methyl-beta-alaninenitrile, (2-cyanoethyl)methyl amine

Molecular Formula

C₄H₈N₂

Molecular Weight

84.12 g/mol

InChI Key

UNIJBMUBHBAUET-UHFFFAOYSA-N

1 2D Structure

CAS 693-05-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(methylamino)propanenitrile

2.1.2 InChI

InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3

2.1.3 InChI Key

UNIJBMUBHBAUET-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNCCC#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 693-05-0

2. 3-methylaminopropionitrile

3. 3-(methylamino)propionitrile

4. Propanenitrile, 3-(methylamino)-

5. N-methyl-beta-alaninenitrile

6. (2-cyanoethyl)methyl Amine

7. 3-(methyl Amino)-propionitrile

8. Propionitrile, 3-(methylamino)-

9. N-(2-cyanoethyl)methylamine

10. 3-(n-methylamino)propionitrile

11. Nsc 8399

12. 3-(methylamino)-propanenitrile

13. N-methyl-beta-alanine Nitrile

14. N-.beta.-cyanoethylmethylamine

15. N-methyl-.beta.-alaninenitrile

16. N-methyl-.beta.-aminopropionitrile

17. Mfcd00001954

18. (2-cyanoethyl)methylamine

19. Beta-(methylamino)propionitrile

20. N-(beta-cyanoethyl)methylamine

21. N-methyl-beta-aminopropionitrile

22. Einecs 211-740-0

23. Beta-methylaminopropionitril [german]

24. Beta-methylaminopropionitril

25. Brn 1699160

26. Ai3-26057

27. Nsc8399

28. B-methylaminopropionitrile

29. N-methyl-a-alaninenitrile

30. 3-methylamino-propionitrile

31. 3-04-00-01264 (beilstein Handbook Reference)

32. N-methyl-(2-cyanoethyl)amine

33. Beta-n-methylaminopropionitrile

34. .beta.-methylaminopropionitrile

35. N-methyl-n-(b-cyanoethyl)amine

36. N-methyl-n-beta-cyanoethylamine

37. Dtxsid8061004

38. 3-(methylamino)propanenitrile #

39. N-(2-cyanoethyl)-n-methylamine

40. N-methyl-n-(2-cyanoethyl)amine

41. .beta.-(methylamino)propionitrile

42. N-(.beta.-cyanoethyl)methylamine

43. N-methyl-n-(beta-cyanoethyl)amine

44. Act06299

45. Nsc-8399

46. Zinc1586651

47. 3-(methylamino)propionitrile, 98%

48. Bbl011478

49. Stl146590

50. Akos000118785

51. Cs-w011357

52. Gs-3088

53. Sy005346

54. Db-055253

55. Bb 0256572

56. Ft-0632819

57. Ft-0671462

58. M2312

59. J-640316

60. J-800319

61. Q-100777

62. F0001-1800

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₈N₂
Molecular Weight	84.12 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	84.068748264 g/mol
Monoisotopic Mass	84.068748264 g/mol
Topological Polar Surface Area	35.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	59.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

693-05-0

Intermediate Name

3-(Methylamino)-propionitrile 98%

About the Company

RR LIFESCIENCES manufactures products purely by organic synthesis to offer its customers a choice of prod...

RR LIFESCIENCES manufactures products purely by organic synthesis to offer its customers a choice of products in their areas. Our facilities are equipped with a range of reactor sizes, glass lined reactors and S.S. Reactors, some reactors are capable of operating at high extreme temperature. Other equipments includes Centrifuges, Vacuum Tray Drier, Multi Mills, Tray Drier, in clean finishing suites. All Our facilities are GMP complaint, designed to maintain the highest standards of safety. Our R&D scale-up capabilities from lab scale to commercialization. Our team of experts interacts with our customers from the initial stages of the project to ensure successful completion of the project. We follow stringent quality assurance norms and it has the domain expertise and state of art of facilities to develop analytical methods for evaluating quality of raw materials, intermediates and final products. Our R&D scale-up capabilities from lab scale to commercialization. Our team of experts interacts with our customers from the initial stages of the project to ensure successful completion of the project. We follow stringent quality assurance norms and it has the domain expertise and state of art of facilities to develop analytical methods for evaluating quality of raw materials, intermediates and final products.

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