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    Chemistry

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    Also known as: 75345-27-6, Chebi:32025, Polidronium chloride (jan/inn), As-83276, D01912, A937800
    Molecular Formula
    C22H48Cl3N3O6
    Molecular Weight
    557.0  g/mol
    InChI Key
    OTIWYSKRSMXGNK-VHJGTCNUSA-K
    Polyquaternium 1
    1 2D Structure

    Polyquaternium 1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium;trichloride
    2.1.2 InChI
    InChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;;
    2.1.3 InChI Key
    OTIWYSKRSMXGNK-VHJGTCNUSA-K
    2.1.4 Canonical SMILES
    C[N+](C)(CC=CC[N+](CCO)(CCO)CCO)CC=CC[N+](CCO)(CCO)CCO.[Cl-].[Cl-].[Cl-]
    2.1.5 Isomeric SMILES
    C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C.[Cl-].[Cl-].[Cl-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Polyquad

    2. Polyquaternium 1

    3. Polyquaternium-1

    2.2.2 Depositor-Supplied Synonyms

    1. 75345-27-6

    2. Chebi:32025

    3. Polidronium Chloride (jan/inn)

    4. As-83276

    5. D01912

    6. A937800

    7. Q1493560

    8. Dimethyl-bis[(e)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium;trichloride

    2.3 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 557.0 g/mol
    Molecular Formula C22H48Cl3N3O6
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count20
    Exact Mass555.260869 g/mol
    Monoisotopic Mass555.260869 g/mol
    Topological Polar Surface Area121 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity424
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4

    API Reference Price

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    [{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q2","strtotime":1683570600,"product":"POLYQUATERNIUM 10 RAW MATERIAL FOR COSMETIC USE","address":"G-72,0-3, ASHISH CHS, SECTOR-6, KALAMBOLI","city":"RAIGARH(MH)","supplier":"NANJING JOINT FRIENDS CHEMICAL CO L","supplierCountry":"CHINA","foreign_port":"SHENZHEN","customer":"KVL GLOBAL SOLUTIONS","customerCountry":"INDIA","quantity":"2000.00","actualQuantity":"2000","unit":"KGS","unitRateFc":"15.3","totalValueFC":"31067.7","currency":"USD","unitRateINR":"1278.2","date":"09-May-2023","totalValueINR":"2556382.71","totalValueInUsd":"31067.7","indian_port":"JNPT","hs_no":"29239000","bill_no":"0","productDescription":"API","marketType":"REGULATED MARKET","country":"China","selfForZScoreResived":"Pharma Grade","supplierPort":"SHENZHEN","supplierAddress":"","customerAddress":"G-72,0-3, ASHISH CHS, SECTOR-6, KALAMBOLI"}]
    09-May-2023
    09-May-2023
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