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    CAS 811-93-8

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    CAS 811-93-8
    Also known as: 811-93-8, 1,2-diamino-2-methylpropane, 2-methyl-1,2-propanediamine, 1,2-propanediamine, 2-methyl-, Methyl-2 propanediamine-1,2, 1,2-diamino-2-methyl propane
    Molecular Formula
    C4H12N2
    Molecular Weight
    88.15  g/mol
    InChI Key
    OPCJOXGBLDJWRM-UHFFFAOYSA-N
    1 2D Structure

    CAS 811-93-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylpropane-1,2-diamine
    2.1.2 InChI
    InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
    2.1.3 InChI Key
    OPCJOXGBLDJWRM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CN)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 811-93-8

    2. 1,2-diamino-2-methylpropane

    3. 2-methyl-1,2-propanediamine

    4. 1,2-propanediamine, 2-methyl-

    5. Methyl-2 Propanediamine-1,2

    6. 1,2-diamino-2-methyl Propane

    7. 1,1-dimethyl-1,2-ethanediamine

    8. 2-methyl-1,2-diaminopropane

    9. 2-methylpropylenediamine

    10. Einecs 212-374-4

    11. Nsc 17717

    12. Brn 0773658

    13. Nsc17717

    14. 1,1-dimethylethylenediamine

    15. 2,2-dimethylethylenediamine

    16. 2-amino-2-methylpropylamine

    17. 2,2-dimethly-ethylenediamine

    18. 1,2-diamino-2-methlypropane

    19. 4-04-00-01306 (beilstein Handbook Reference)

    20. 1,2-diamino-2-methyl-propane

    21. 2-methyl-1,2-diamino Propane

    22. 2-methyl-propane-1,2-diamine

    23. Dtxsid10230896

    24. Chebi:183963

    25. (2-amino-1,1-dimethylethyl)amine

    26. Amy14283

    27. Str01438

    28. Mfcd00008054

    29. Nsc-17717

    30. Zinc19366925

    31. Akos005259267

    32. Pb47713

    33. Bp-12794

    34. Db-056499

    35. Cs-0058986

    36. D2102

    37. Ft-0606331

    38. 1,1-dimethyl-1,2-ethanediamine; Isobutylenediamine

    39. Q27454691

    40. (2-amino-1,1-dimethylethyl)amine; 2-methyl-1,2-propanediamine

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 88.15 g/mol
    Molecular Formula C4H12N2
    XLogP3-1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass88.100048391 g/mol
    Monoisotopic Mass88.100048391 g/mol
    Topological Polar Surface Area52 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity40.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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