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    CAS 91374-23-1

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    CAS 91374-23-1
    Also known as: 91374-23-1, N-(2-methyl-3-nitrophenethyl)-n-propylpropan-1-amine, N-[2-(2-methyl-3-nitrophenyl)ethyl]-n-propylpropan-1-amine, [2-(2-methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine, N,n-dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine, D(+)-cellobioseoctaacetate
    Molecular Formula
    C15H24N2O2
    Molecular Weight
    264.36  g/mol
    InChI Key
    YTNVHUSMDIAWLT-UHFFFAOYSA-N
    1 2D Structure

    CAS 91374-23-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-(2-methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine
    2.1.2 InChI
    InChI=1S/C15H24N2O2/c1-4-10-16(11-5-2)12-9-14-7-6-8-15(13(14)3)17(18)19/h6-8H,4-5,9-12H2,1-3H3
    2.1.3 InChI Key
    YTNVHUSMDIAWLT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCN(CCC)CCC1=C(C(=CC=C1)[N+](=O)[O-])C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 91374-23-1

    2. N-(2-methyl-3-nitrophenethyl)-n-propylpropan-1-amine

    3. N-[2-(2-methyl-3-nitrophenyl)ethyl]-n-propylpropan-1-amine

    4. [2-(2-methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine

    5. N,n-dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine

    6. D(+)-cellobioseoctaacetate

    7. Schembl3841214

    8. Dtxsid30536201

    9. Act05040

    10. Bcp22606

    11. Mfcd09751331

    12. Zinc16697773

    13. Akos015890002

    14. Ac-8257

    15. Db-012571

    16. Am20041397

    17. Ft-0654786

    18. [2-(2-methyl-3-nitrophenyl)ethyl]dipropylamine

    19. 2-(2-methyl-3-nitro-phenyl)ethyl-dipropyl-amine

    20. 374d231

    21. Q-102411

    22. 2-methyl-3-nitro-n,n-di-n-propyl Phenyl Ethyl Amine

    23. 6-[2-(dipropylamino)ethyl]-2-nitro-1-methylbenzene

    24. 2-methyl-3-nitro-n, N-di-n-propyl Phenyl Ethyl Amine

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 264.36 g/mol
    Molecular Formula C15H24N2O2
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass264.183778013 g/mol
    Monoisotopic Mass264.183778013 g/mol
    Topological Polar Surface Area49.1 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity259
    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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