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Overview of CAS 29426-64-0

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4CH-011310
PharmaCompass
  • Chemistry
4CH-011310
Also known as: 29426-64-0, Dl-alpha-amino-epsilon-caprolactam hydrochloride, 3-amino-2-azepanone hcl, 3-aminoazepan-2-one hcl, 3-aminohexahydro-2h-azepin-2-one hydrochloride, 2h-azepin-2-one, 3-aminohexahydro-, monohydrochloride
Molecular Formula
C6H13ClN2O
Molecular Weight
164.633  g/mol
InChI Key
LWXJCGXAYXXXRU-UHFFFAOYSA-N

1 2D Structure

4CH-011310

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-aminoazepan-2-one;hydrochloride
2.1.2 InChI
InChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H
2.1.3 InChI Key
LWXJCGXAYXXXRU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCNC(=O)C(C1)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 29426-64-0

2. Dl-alpha-amino-epsilon-caprolactam Hydrochloride

3. 3-amino-2-azepanone Hcl

4. 3-aminoazepan-2-one Hcl

5. 3-aminohexahydro-2h-azepin-2-one Hydrochloride

6. 2h-azepin-2-one, 3-aminohexahydro-, Monohydrochloride

7. Dl-lysine Lactam Hydrochloride

8. Schembl1446953

9. Ctk8b3941

10. Ks-00000plu

11. Dtxsid10481422

12. Lwxjcgxayxxxru-uhfffaoysa-n

13. Molport-003-932-270

14. 3-amino-2-azepanone Hydrochloride

15. Cs-m1433

16. Anw-43505

17. Akos015919800

18. Ds-1722

19. Tra0014064

20. Ak-77858

21. Br-77858

22. Da-18275

23. Dl-

24. A-amino-

25. A-caprolactam Hydrochloride

26. Kb-70405

27. Alpha-amino-epsiloncaprolactam Hydrochloride

28. Dl-alpha-amino-?-caprolactam Hydrochloride

29. Ab0024018

30. Tc-132250

31. 3-amino-2-oxohexamethyleneimine Hydrochloride

32. 4ch-002216

33. 4ch-011310

34. Alpha-amino-epsilon-caprolactam Hydrochloride

35. Ft-0746905

36. St24022680

37. W5198

38. Dl-3-aminohexahydro-2-azepinone Hydrochloride

39. S-2097

40. Dl-3-amino-2-oxohexamethyleneimine Hydrochloride

41. J-017511

42. Dl-alpha-amino-epsilon-caprolactam Hydrochloride, 97%

43. I14-90624

44. Dl-alpha-amino-epsilon-caprolactam Hydrochloride, >=99.0%

45. ( Inverted Exclamation Marka)-3-aminohexahydro-2h-azepin-2-one Hydrochloride

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 164.633 g/mol
Molecular Formula C6H13ClN2O
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass164.072 g/mol
Monoisotopic Mass164.072 g/mol
Topological Polar Surface Area55.1 A^2
Heavy Atom Count10
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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