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    Halostachine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 495-42-1, (1r)-2-(methylamino)-1-phenylethanol, (1r)-2-(methylamino)-1-phenylethan-1-ol, Aih8flv35k, Halostachin, Unii-aih8flv35k
    Molecular Formula
    C9H13NO
    Molecular Weight
    151.21  g/mol
    InChI Key
    ZCTYHONEGJTYQV-VIFPVBQESA-N
    FDA UNII
    AIH8FLV35K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-2-(methylamino)-1-phenylethanol
    2.1.2 InChI
    InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/t9-/m0/s1
    2.1.3 InChI Key
    ZCTYHONEGJTYQV-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    CNCC(C1=CC=CC=C1)O
    2.1.5 Isomeric SMILES
    CNC[C@@H](C1=CC=CC=C1)O
    2.2 Other Identifiers
    2.2.1 UNII
    AIH8FLV35K
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 495-42-1

    2. (1r)-2-(methylamino)-1-phenylethanol

    3. (1r)-2-(methylamino)-1-phenylethan-1-ol

    4. Aih8flv35k

    5. Halostachin

    6. Unii-aih8flv35k

    7. Halostachine [mi]

    8. Halostachine, (-)-

    9. Schembl932123

    10. Benzenemethanol, Alpha-((methylamino)methyl)-, (r)-

    11. (r)-(-)-halostachine

    12. Chembl1160736

    13. Niosh/do9650000

    14. Dtxsid00879576

    15. Chebi:167510

    16. Zinc393338

    17. (r)-2-methylamino-1-phenylethanol

    18. (r)-2-(methylamino)-1-phenylethanol

    19. Akos030584896

    20. D-1-phenyl-1-oxy-2-(methylamino)-aethan

    21. (-)-phenyl(methylaminomethyl)carbinol

    22. Do96500000

    23. (+)-alpha-((methylamino)methyl)benzyl Alcohol

    24. Benzenemethanol, Alpha-((methylamino)methyl)-, D-

    25. (-)-1-hydroxy-1-phenyl-2-methylaminoethane

    26. D-1-phenyl-1-oxy-2-(methylamino)-aethan [german]

    27. Q5643464

    28. (-)-.alpha.-(methylaminomethyl)benzyl Alcohol

    29. Benzyl Alcohol, Alpha-((methylamino)methyl)-, (+)-

    30. F1909-1619

    31. Benzenemethanol, .alpha.-((methylamino)methyl)-, (.alpha.r)-

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 151.21 g/mol
    Molecular Formula C9H13NO
    XLogP3-0.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass151.099714038 g/mol
    Monoisotopic Mass151.099714038 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity99.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1