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    3-T-Butylamino-1,2-Propanediol

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 30315-46-9, (s)-3-tert-butylamino-1,2-propanediol, (2s)-3-(tert-butylamino)propane-1,2-diol, (s)-(-)-3-tert-butylamino-1,2-propanediol, (s)-(-)-3-(t-butylamino)-1,2-propanediol, Zuw27bjs8s
    Molecular Formula
    C7H17NO2
    Molecular Weight
    147.22  g/mol
    InChI Key
    JWBMVCAZXJMSOX-LURJTMIESA-N
    FDA UNII
    ZUW27BJS8S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-3-(tert-butylamino)propane-1,2-diol
    2.1.2 InChI
    InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1
    2.1.3 InChI Key
    JWBMVCAZXJMSOX-LURJTMIESA-N
    2.1.4 Canonical SMILES
    CC(C)(C)NCC(CO)O
    2.1.5 Isomeric SMILES
    CC(C)(C)NC[C@@H](CO)O
    2.2 Other Identifiers
    2.2.1 UNII
    ZUW27BJS8S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 30315-46-9

    2. (s)-3-tert-butylamino-1,2-propanediol

    3. (2s)-3-(tert-butylamino)propane-1,2-diol

    4. (s)-(-)-3-tert-butylamino-1,2-propanediol

    5. (s)-(-)-3-(t-butylamino)-1,2-propanediol

    6. Zuw27bjs8s

    7. 1,2-propanediol, 3-[(1,1-dimethylethyl)amino]-, (s)-

    8. (s)-1-tert-butylamino-2,3-propanediol

    9. 1-tert-butylamino-2,3-propanediol, (s)-

    10. (s)-3-(tert-butylamino)-1,2-propanediol

    11. Einecs 250-125-1

    12. 1,2-propanediol, 3-[(1,1-dimethylethyl)amino]-, (2s)-

    13. 1,2-propanediol, 3-((1,1-dimethylethyl)amino)-, (2s)-

    14. Mfcd00190165

    15. Unii-zuw27bjs8s

    16. S-(-)-3-(3-tert-butylamino)-1,2-propanediol

    17. Schembl283339

    18. Jwbmvcazxjmsox-lurjtmiesa-

    19. Dtxsid301233287

    20. Zinc403194

    21. Akos015838030

    22. Ac-8486

    23. Cs-w018205

    24. Ac-32128

    25. As-69282

    26. (s)-(-)3-tert-butylamino-1,2-propanediol

    27. (s)-1-tert.butylamino-2,3-dihydroxypropane

    28. (s)-1-tert.butylamino-2,3-dihydroxy-propane

    29. D70110

    30. 315b469

    31. A820318

    32. 1-tert-butylamino-2,3-propanediol, (-)-

    33. W-106951

    34. (2s)-3-[(1,1-dimethylethyl)amino]-1,2-propanediol

    35. (2s)-3-[(1,1-dimethylethyl)amino]propane-1,2-diol

    36. (s)-(-)-3-tert-butylamino-1,2-propanediol, 97%

    37. Tert-butyl-[(2s)-2,3-dihydroxypropyl]ammonium;(s)-3-(tert-butylamino)-1,2-propanediol

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 147.22 g/mol
    Molecular Formula C7H17NO2
    XLogP3-0.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass147.125928785 g/mol
    Monoisotopic Mass147.125928785 g/mol
    Topological Polar Surface Area52.5 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity88.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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