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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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