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    CAS 693-05-0

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    CAS 693-05-0
    Also known as: 693-05-0, 3-methylaminopropionitrile, 3-(methylamino)propionitrile, Propanenitrile, 3-(methylamino)-, N-methyl-beta-alaninenitrile, (2-cyanoethyl)methyl amine
    Molecular Formula
    C4H8N2
    Molecular Weight
    84.12  g/mol
    InChI Key
    UNIJBMUBHBAUET-UHFFFAOYSA-N
    1 2D Structure

    CAS 693-05-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(methylamino)propanenitrile
    2.1.2 InChI
    InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
    2.1.3 InChI Key
    UNIJBMUBHBAUET-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNCCC#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 693-05-0

    2. 3-methylaminopropionitrile

    3. 3-(methylamino)propionitrile

    4. Propanenitrile, 3-(methylamino)-

    5. N-methyl-beta-alaninenitrile

    6. (2-cyanoethyl)methyl Amine

    7. 3-(methyl Amino)-propionitrile

    8. Propionitrile, 3-(methylamino)-

    9. N-(2-cyanoethyl)methylamine

    10. 3-(n-methylamino)propionitrile

    11. Nsc 8399

    12. 3-(methylamino)-propanenitrile

    13. N-methyl-beta-alanine Nitrile

    14. N-.beta.-cyanoethylmethylamine

    15. N-methyl-.beta.-alaninenitrile

    16. N-methyl-.beta.-aminopropionitrile

    17. Mfcd00001954

    18. (2-cyanoethyl)methylamine

    19. Beta-(methylamino)propionitrile

    20. N-(beta-cyanoethyl)methylamine

    21. N-methyl-beta-aminopropionitrile

    22. Einecs 211-740-0

    23. Beta-methylaminopropionitril [german]

    24. Beta-methylaminopropionitril

    25. Brn 1699160

    26. Ai3-26057

    27. Nsc8399

    28. B-methylaminopropionitrile

    29. N-methyl-a-alaninenitrile

    30. 3-methylamino-propionitrile

    31. 3-04-00-01264 (beilstein Handbook Reference)

    32. N-methyl-(2-cyanoethyl)amine

    33. Beta-n-methylaminopropionitrile

    34. .beta.-methylaminopropionitrile

    35. N-methyl-n-(b-cyanoethyl)amine

    36. N-methyl-n-beta-cyanoethylamine

    37. Dtxsid8061004

    38. 3-(methylamino)propanenitrile #

    39. N-(2-cyanoethyl)-n-methylamine

    40. N-methyl-n-(2-cyanoethyl)amine

    41. .beta.-(methylamino)propionitrile

    42. N-(.beta.-cyanoethyl)methylamine

    43. N-methyl-n-(beta-cyanoethyl)amine

    44. Act06299

    45. Nsc-8399

    46. Zinc1586651

    47. 3-(methylamino)propionitrile, 98%

    48. Bbl011478

    49. Stl146590

    50. Akos000118785

    51. Cs-w011357

    52. Gs-3088

    53. Sy005346

    54. Db-055253

    55. Bb 0256572

    56. Ft-0632819

    57. Ft-0671462

    58. M2312

    59. J-640316

    60. J-800319

    61. Q-100777

    62. F0001-1800

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 84.12 g/mol
    Molecular Formula C4H8N2
    XLogP3-0.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass84.068748264 g/mol
    Monoisotopic Mass84.068748264 g/mol
    Topological Polar Surface Area35.8 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity59.2
    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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