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    CAS 168960-19-8

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 168960-19-8, (1s,4r)-4-amino-cyclopent-2-enyl-methanol hydrochloride, 2-cyclopentene-1-methanol, 4-amino-, hydrochloride, (1s,4r)-, (1s,4r)-(4-aminocyclopent-2-enyl)methanol hydrochloride, [(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride, Schembl4498187
    Molecular Formula
    C6H12ClNO
    Molecular Weight
    149.62  g/mol
    InChI Key
    DFJSXBUVSKWALM-IBTYICNHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1
    2.1.3 InChI Key
    DFJSXBUVSKWALM-IBTYICNHSA-N
    2.1.4 Canonical SMILES
    C1C(C=CC1N)CO.Cl
    2.1.5 Isomeric SMILES
    C1[C@@H](C=C[C@@H]1N)CO.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 168960-19-8

    2. (1s,4r)-4-amino-cyclopent-2-enyl-methanol Hydrochloride

    3. 2-cyclopentene-1-methanol, 4-amino-, Hydrochloride, (1s,4r)-

    4. (1s,4r)-(4-aminocyclopent-2-enyl)methanol Hydrochloride

    5. [(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride

    6. Schembl4498187

    7. Dtxsid90703775

    8. Dtxsid701015728

    9. Srca-00006

    10. Mfcd01632106

    11. Akos025287181

    12. Ds-9476

    13. Db-126395

    14. Cs-0162437

    15. D70763

    16. (1s,4r)-4-amino-2-cyclopentene-1-methanol Hcl

    17. [(1r,4s)-4-4-amino-2-cyclopentene-1-methanol Hcl

    18. ((1s,4r)-4-aminocyclopent-2-en-1-yl)methanolhydrochloride

    19. (+/-)-cis-4-amino-2-cyclopentene-1-methanol Hydrochloride

    20. (+)-(1s,4r)-4-amino-2-cyclopentene-1-methanol Hydrochloride

    21. (1r, 4s)-1-amino-4-hydroxymethyl-2-cyclopentene Hydrochloride

    22. (1r,4s)-1-amino-4-hydroxymethyl-2-cyclopentene Hydrochloride

    23. [(1s,4r)-4-amino-2-cyclopenten-1-yl]methanol Hydrochloride

    24. ((1s,4r)-4-aminocyclopent-2-en-1-yl)methanol Hydrochloride (1:1)

    25. (1r, 4 S)-1- Amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

    26. (1r, 4 S)-1-amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

    27. (1r, 4s)-1-amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

    28. (1r,4s)-1-amino-4-(hydroxymethyl)-2-cyclo-pentene Hydrochloride

    29. (1r,4s)-1-amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

    30. [(1s,4r)-4-amino-2-cyclopenten-1-yl]methanol Hydrochloride (1:1)

    31. 2-cyclopentene-1-methanol, 4-amino-, Hydrochloride (1:1), (1s,4r)-

    32. Sriramchem-[(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride

    2.3 Create Date
    2011-11-07
    3 Chemical and Physical Properties
    Molecular Weight 149.62 g/mol
    Molecular Formula C6H12ClNO
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass149.0607417 g/mol
    Monoisotopic Mass149.0607417 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity101
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2