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    Chemistry

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    Also known as: 305860-41-7, Tert-butyl ((1h-benzo[d][1,2,3]triazol-1-yl)methyl)carbamate, 1-(boc-aminomethyl)-1h-benzo[d][1,2,3]triazole, Schembl18803150, Bcp30110, Zinc5632437
    Molecular Formula
    C12H16N4O2
    Molecular Weight
    248.28  g/mol
    InChI Key
    IJLFUQMNYDWDIH-UHFFFAOYSA-N
    CAS 305860-41-7
    1 2D Structure

    CAS 305860-41-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-(benzotriazol-1-ylmethyl)carbamate
    2.1.2 InChI
    InChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)13-8-16-10-7-5-4-6-9(10)14-15-16/h4-7H,8H2,1-3H3,(H,13,17)
    2.1.3 InChI Key
    IJLFUQMNYDWDIH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NCN1C2=CC=CC=C2N=N1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 305860-41-7

    2. Tert-butyl ((1h-benzo[d][1,2,3]triazol-1-yl)methyl)carbamate

    3. 1-(boc-aminomethyl)-1h-benzo[d][1,2,3]triazole

    4. Schembl18803150

    5. Bcp30110

    6. Zinc5632437

    7. A1-15679

    8. Tert-butyl N-[(1h-1,2,3-benzotriazol-1-yl)methyl]carbamate

    9. Tert-butyl((1h-benzo[d][1,2,3]triazol-1-yl)methyl)carbamate

    2.3 Create Date
    2005-09-26
    3 Chemical and Physical Properties
    Molecular Weight 248.28 g/mol
    Molecular Formula C12H16N4O2
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass248.12732577 g/mol
    Monoisotopic Mass248.12732577 g/mol
    Topological Polar Surface Area69 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity303
    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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