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Reference substances

Reference substances

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IUPAC name:
Protein hydrolyzates, silk, reaction products with 3-chloro-2-hydroxypropyl-cocoalkyl-dimethylammonium chloride

Inventory

Synonyms
Names:
Identifier:
common name
Cocodimonium hydroxypropyl hydrolysed silk
Identifier:
other: Chemical name
Silk hydrolyzates, 2-hydroxy-3-(cocoalkyldimethylammonio)propyl derivatives, chlorides

Molecular and structural information

Molecular formula:
Molecular formula of major active constituents:
C20H43CL1N2O3 (representative molecular formula for C12 alkyl chain Quaternised alanine)
C19H41CL1N2O3 (representative molecular formula for C12 alkyl chain Quaternised glycine)
C20H43Cl1N2O4 (representative molecular formula of C12 alkyl chain quaternised serine)

Molecular weight:
ca. 290 - ca. 460
SMILES notation:
SMILES of major active constituents:
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(C)C(O)=O (representative SMILES for C12 alkyl chain Quaternised alanine)
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNCC(O)=O (representative SMILES for C12 alkyl chain Quaternised glycine)
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CO)C(O)=O (representative SMILES of C12 alkyl chain quaternised serine)
InChl:
InChI of major active constituents:
InChI=1/C20H42N2O3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-22(3,4)17-19(23)16-21-18(2)20(24)25;/h18-19,21,23H,5-17H2,1-4H3;1H (representative InChI for C12 alkyl chain Quaternised alanine)
InChI=1/C19H40N2O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-21(2,3)17-18(22)15-20-16-19(23)24;/h18,20,22H,4-17H2,1-3H3;1H (representative InChI for C12 alkyl chain Quaternised glycine)
InChI=1/C20H42N2O4.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-22(2,3)16-18(24)15-21-19(17-23)20(25)26;/h18-19,21,23-24H,4-17H2,1-3H3;1H (representative InChI of C12 alkyl chain quaternised serine)
Structural formula:
Chemical structure

Related substances

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Identifier:
CAS number
Identity:
162353-59-5
Identifier:
EC number
Identity:
500-696-0