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  • [Synonyms]
    2-Aminobutan-1-ol
    132527_ALDRICH
    1-BUTANOL, 2-AMINO-
    (S)-()-2-Amino-1-butanol
    07178_FLUKA
    InChI=1/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H
    96-20-8

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight89.13624 [g/mol]
    Molecular FormulaC4H11NO
    XLogP-0.5
    H-Bond Donor2
    H-Bond Acceptor2
    Rotatable Bond Count2
    Exact Mass89.084064
    MonoIsotopic Mass89.084064
    Topological Polar Surface Area46.3
    Heavy Atom Count6
    Formal Charge0
    Complexity30.7
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (2S)-2-aminobutan-1-ol
    Canonical SMILES: CCC(CO)N
    Isomeric SMILES: CC[C@@H](CO)N
    InChI: InChI=1/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1



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