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    CAS 54012-73-6

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    CAS 54012-73-6
    Also known as: 3-aminopiperidine, 54012-73-6, 3-piperidinamine, Piperidin-3-ylamine, (+)-noesreagent, (3rs)-3-aminopiperidine
    Molecular Formula
    C5H12N2
    Molecular Weight
    100.16  g/mol
    InChI Key
    PEUGKEHLRUVPAN-UHFFFAOYSA-N
    1 2D Structure

    CAS 54012-73-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    piperidin-3-amine
    2.1.2 InChI
    InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2
    2.1.3 InChI Key
    PEUGKEHLRUVPAN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(CNC1)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3-aminopiperidine

    2. 54012-73-6

    3. 3-piperidinamine

    4. Piperidin-3-ylamine

    5. (+)-noesreagent

    6. (3rs)-3-aminopiperidine

    7. Schembl11946

    8. Dtxsid90276414

    9. Peugkehlruvpan-uhfffaoysa-n

    10. Amy19293

    11. Bcp10242

    12. Mfcd04972497

    13. Akos005206889

    14. Cs-w005316

    15. Sb43018

    16. Sb45192

    17. Ac-13109

    18. Ds-15819

    19. Ft-0602178

    20. Ft-0657389

    21. Ft-0658224

    22. En300-42328

    23. D77676

    24. A829907

    25. Q-103035

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 100.16 g/mol
    Molecular Formula C5H12N2
    XLogP3-0.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area38
    Heavy Atom Count7
    Formal Charge0
    Complexity54
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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