CAS 127946-77-4

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Also known as: 127946-77-4, 1-aminocyclopropanecarbonitrile hydrochloride, 1-aminocyclopropanecarbonitrile hcl, 1-aminocyclopropane-1-carbonitrile hydrochloride, 1-amino-1-cyclopropanecarbonitrile, hcl, 1-amino-1-cyanocyclopropane hydrochloride

Molecular Formula

C₄H₇ClN₂

Molecular Weight

118.56 g/mol

InChI Key

PCEIEQLJYDMRFZ-UHFFFAOYSA-N

1 2D Structure

CAS 127946-77-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-aminocyclopropane-1-carbonitrile;hydrochloride

2.1.2 InChI

InChI=1S/C4H6N2.ClH/c5-3-4(6)1-2-4;/h1-2,6H2;1H

2.1.3 InChI Key

PCEIEQLJYDMRFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1(C#N)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 127946-77-4

2. 1-aminocyclopropanecarbonitrile Hydrochloride

3. 1-aminocyclopropanecarbonitrile Hcl

4. 1-aminocyclopropane-1-carbonitrile Hydrochloride

5. 1-amino-1-cyclopropanecarbonitrile, Hcl

6. 1-amino-1-cyanocyclopropane Hydrochloride

7. 1-aminocyclopropane-1-carbonitrile;hydrochloride

8. Cyclopropanecarbonitrile, 1-amino-, Monohydrochloride

9. Mfcd04114063

10. 1-amino-1-cyclopropanecarbonitrile Hcl

11. 1-aminocyclopropanecarbonitrile Hydrochloride (1:1)

12. 1-cyanocyclopropanaminium Chloride

13. 1-amino-cyclopropyl Cyanic Hydrochloride

14. 1-amino-cyclopropanecarbonitrile Hydrochloride

15. Ec 629-718-8

16. 1-aminocyclopropionitrile Hcl

17. Schembl345144

18. Dtxsid20561926

19. 1-aminocyclopropanecarbonitrile-hcl

20. Act02795

21. Cs-d0921

22. 1-cyanocyclopropylamine Hydrochloride

23. Ac-863

24. Akos005145948

25. 1-aminocyclopropane-1-carbonitrile Hcl

26. Gs-3586

27. Pb48330

28. 1-aminocyclopropanecarbonitrile Hcl Salt

29. 1-aminocyclopropyl Cyanide Hydrochloride

30. Sy015717

31. Db-011668

32. Am20080205

33. Ft-0649314

34. 1-aminocyclopropane-carbonitrile Hydrochloride

35. En300-78342

36. 1-amino-1-cyclopropanecarbonitrilehydrochloride

37. A25580

38. 1-amino-1-cyclopropane Carbonitrile Hydrochloride

39. 1-amino-1-cyclopropane-carbonitrile Hydrochloride

40. 946a774

41. J-504202

42. 1-amino-1-cyclopropanecarbonitrile Hydrochloride, 97%

43. Cyclopropanecarbonitrile, 1-amino-, Hydrochloride (1:1)

44. Z1741972043

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₄H₇ClN₂
Molecular Weight	118.56 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	118.0297759 g/mol
Monoisotopic Mass	118.0297759 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	104
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	2