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    3-aminoazepan-2-one;hydrochloride

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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