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Also known as: 29426-64-0, Dl-alpha-amino-epsilon-caprolactam hydrochloride, 3-aminoazepan-2-one hcl, 3-aminoazepan-2-one;hydrochloride, Dl-alpha-amino-epsilon-caprolactam hcl, 2h-azepin-2-one, 3-aminohexahydro-, monohydrochloride
Molecular Formula
C6H13ClN2O
Molecular Weight
164.63  g/mol
InChI Key
LWXJCGXAYXXXRU-UHFFFAOYSA-N

CAS 29426-64-0
1 2D Structure

CAS 29426-64-0

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-aminoazepan-2-one Hcl

4. 3-aminoazepan-2-one;hydrochloride

5. Dl-alpha-amino-epsilon-caprolactam Hcl

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

7. 3-amino-2-azepanone Hcl

8. 3-aminohexahydro-2h-azepin-2-one Hydrochloride

9. Dl-lysine Lactam Hydrochloride

10. Mfcd11840204

11. Schembl1446953

12. 3-aminoazepan-2-onehydrochloride

13. Dtxsid10481422

14. 3-amino-2-azepanone Hydrochloride

15. Cs-m1433

16. Mfcd06798179

17. Akos015919800

18. Ds-1722

19. Sb36254

20. Sb36255

21. Da-18275

22. Sy030978

23. Alpha-amino-epsiloncaprolactam Hydrochloride

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

25. Alpha-amino-epsilon-caprolactam Hydrochloride

26. Ft-0687399

27. Ft-0687400

28. Ft-0746905

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

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

31. A876465

32. J-017511

33. Dl- Alpha -amino- Epsilon -caprolactam Hydrochloride

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

35. 2h-azepin-2-one, 3-aminohexahydro-, Hydrochloride (1:1)

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

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 164.63 g/mol
Molecular Formula C6H13ClN2O
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass164.0716407 g/mol
Monoisotopic Mass164.0716407 g/mol
Topological Polar Surface Area55.1 Ų
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

BUILDING BLOCK

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