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    CAS 1025716-99-7

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    CAS 1025716-99-7
    Also known as: 1025716-99-7, Schembl533661, Akos015890561, C14024, Methyl 3-guanidino-4-methylbenzoate mononitrate, 3-(aminoiminomethylamino)-4-methylbenzoic acid methyl ester nitrate
    Molecular Formula
    C10H14N4O5
    Molecular Weight
    270.24  g/mol
    InChI Key
    SFHRCNFZNRMPOT-UHFFFAOYSA-N
    1 2D Structure

    CAS 1025716-99-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid
    2.1.2 InChI
    InChI=1S/C10H13N3O2.HNO3/c1-6-3-4-7(9(14)15-2)5-8(6)13-10(11)12;2-1(3)4/h3-5H,1-2H3,(H4,11,12,13);(H,2,3,4)
    2.1.3 InChI Key
    SFHRCNFZNRMPOT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)C(=O)OC)N=C(N)N.[N+](=O)(O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1025716-99-7

    2. Schembl533661

    3. Akos015890561

    4. C14024

    5. Methyl 3-guanidino-4-methylbenzoate Mononitrate

    6. 3-(aminoiminomethylamino)-4-methylbenzoic Acid Methyl Ester Nitrate

    2.3 Create Date
    2010-09-07
    3 Chemical and Physical Properties
    Molecular Weight 270.24 g/mol
    Molecular Formula C10H14N4O5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass270.09641956 g/mol
    Monoisotopic Mass270.09641956 g/mol
    Topological Polar Surface Area157 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity286
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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    5-(4-Methyl-1H-imidazol-1-yl)-3-nitrobenzotrifluoride

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    Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...
    Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.
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