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    Technical details about CAS 1049695-95-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1049695-95-5

    BUILDING BLOCK

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    2D Structure
    Also known as: 1049695-95-5, 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine hydrochloride, N-benzyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride, Zhj7le5llg, Schembl1134234, Niosh/sg9730000
    Molecular Formula
    C17H22ClNO
    Molecular Weight
    291.8  g/mol
    InChI Key
    SUSBWRIJXPEFFJ-UHFFFAOYSA-N
    FDA UNII
    ZHJ7LE5LLG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-benzyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H21NO.ClH/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15;/h3-11,14,18H,12-13H2,1-2H3;1H
    2.1.3 InChI Key
    SUSBWRIJXPEFFJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC=C(C=C1)OC)NCC2=CC=CC=C2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    ZHJ7LE5LLG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1049695-95-5

    2. 4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine Hydrochloride

    3. N-benzyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride

    4. Zhj7le5llg

    5. Schembl1134234

    6. Niosh/sg9730000

    7. Zrb69595

    8. Mfcd01708434

    9. Akos025286049

    10. Ds-9507

    11. Ac-28726

    12. Cs-0154059

    13. Sg97300000

    14. 1-(4-methoxyphenyl)-2-benzylaminopropane Hcl

    15. D94888

    16. A896125

    17. N-benzyl-p-methoxy-alpha-methylphenethylamine Hydrochloride

    18. Phenethylamine, N-benzyl-p-methoxy-alpha-methyl-, Hydrochloride

    19. Benzeneethanamine, 4-methoxy-alpha-methyl-n-(phenylmethyl)-, Hydrochloride (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 291.8 g/mol
    Molecular Formula C17H22ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area21.3
    Heavy Atom Count20
    Formal Charge0
    Complexity229
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2