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    Chemistry

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    Also known as: Propane-1,2-diamine;dihydrochloride, 62063-19-8, (s)-(-)-diaminopropane dihydrochloride, Schembl202468, 1,2-diaminopropane dihydrochloride, Akos025243742
    Molecular Formula
    C3H12Cl2N2
    Molecular Weight
    147.04  g/mol
    InChI Key
    AEIAMRMQKCPGJR-UHFFFAOYSA-N
    CAS 62063-19-8
    1 2D Structure

    CAS 62063-19-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propane-1,2-diamine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H
    2.1.3 InChI Key
    AEIAMRMQKCPGJR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CN)N.Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Propane-1,2-diamine;dihydrochloride

    2. 62063-19-8

    3. (s)-(-)-diaminopropane Dihydrochloride

    4. Schembl202468

    5. 1,2-diaminopropane Dihydrochloride

    6. Akos025243742

    7. Sb35114

    8. Sb35115

    9. Ac-22047

    10. Ft-0605121

    11. Ft-0605293

    12. (s)-(-)-1,2-propylenediaminedihydrochloride

    13. A813938

    14. Propane-1,2-diamine Dihydrochloride;(s)-1,2-diaminopropane 2hcl

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 147.04 g/mol
    Molecular Formula C3H12Cl2N2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass146.0377538 g/mol
    Monoisotopic Mass146.0377538 g/mol
    Topological Polar Surface Area52 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity20.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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