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    Technical details about CAS 26081-07-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 26081-07-2

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 26081-07-2, (s)-3-amino-2-oxo-azepane hcl, (s)-3-amino-azepan-2-one hydrochloride, (3s)-3-aminoazepan-2-one;hydrochloride, (s)-3-amino-2-oxo-azepane hydrochloride, 2h-azepin-2-one, 3-aminohexahydro-, monohydrochloride, (3s)-
    Molecular Formula
    C6H13ClN2O
    Molecular Weight
    164.63  g/mol
    InChI Key
    LWXJCGXAYXXXRU-JEDNCBNOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-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/t5-;/m0./s1
    2.1.3 InChI Key
    LWXJCGXAYXXXRU-JEDNCBNOSA-N
    2.1.4 Canonical SMILES
    C1CCNC(=O)C(C1)N.Cl
    2.1.5 Isomeric SMILES
    C1CCNC(=O)[C@H](C1)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 26081-07-2

    2. (s)-3-amino-2-oxo-azepane Hcl

    3. (s)-3-amino-azepan-2-one Hydrochloride

    4. (3s)-3-aminoazepan-2-one;hydrochloride

    5. (s)-3-amino-2-oxo-azepane Hydrochloride

    6. 2h-azepin-2-one, 3-aminohexahydro-, Monohydrochloride, (3s)-

    7. L-alpha-amino-epsilon-caprolactam Hydrochloride

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

    9. L-lysine Lactam Hydrochloride

    10. L(-)-alpha-amino-epsilon-caprolactam

    11. (s)-3-aminoazepan-2-one Hcl

    12. Schembl1114699

    13. Dtxsid50481421

    14. Bcp01251

    15. Mfcd02683418

    16. (s)-3-aminoazepan-2-onehydrochloride

    17. Akos007930009

    18. Akos015998880

    19. Cs-w016082

    20. (3s)-3-aminoazepan-2-one Hydrochloride

    21. (5)-3-amino-azepan-2-one Hydrochloride

    22. (r);-3-aminoazepan-2-one Hydrochloride

    23. (s)-3-amino-hexahydro-2-azepinone Hcl

    24. Ac-29490

    25. As-44383

    26. A56019

    27. L-(-)-alpha-amino-?-caprolactam Hydrochloride

    28. J-016246

    29. (3s)-3-aminoazepan-2-one--hydrogen Chloride (1/1)

    30. L-(-)- Alpha -amino- Epsilon -caprolactam Hydrochloride

    31. 2h-azepin-2-one, 3-aminohexahydro-, Hydrochloride (1:1), (3s)-

    32. L-(-)-alpha-amino-epsilon-caprolactam Hydrochloride, >=97.0% (at)

    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 Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2