CAS 29426-64-0

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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

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 Formula	C₆H₁₃ClN₂O
Molecular Weight	164.63 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	164.0716407 g/mol
Monoisotopic Mass	164.0716407 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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