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C₄₂H₈₄ClNO₂CAS 104872-42-6670.59 g/mol

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Alkene Ether Quaternary ammonium

Properties

Molecular formula: C₄₂H₈₄ClNO₂
Molar mass: 670.59 g/mol
Exact mass: 669.6191 Da
logP: 10.17Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 37
Double bonds: Z, ZE/Z, in SMILES order

Identifiers

CAS number

104872-42-6

SMILES

CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC.[Cl-]

InChIKey

LDGWQMRUWMSZIU-LQDDAWAPSA-M

InChI

InChI=1S/C42H84NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44-41-42(40-43(3,4)5)45-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,42H,6-19,24-41H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-;

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Names and synonyms

1 names

N-(1-(2,3-Dioleyloxy)propyl)-N,N,N-trimethylammonium

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Similar compounds

Dodma104162-47-259 % similar Glycidyltrimethylammonium chloride3033-77-045 % similar Polyethylene glycol monooleyl ether9004-98-244 % similar (Z)-9-Tricosene27519-02-439 % similar Dodecyltrimethylammonium chloride112-00-538 % similar Cetrimonium chloride112-02-738 % similar Stearyltrimethylammonium chloride112-03-838 % similar N-Butyl glycidyl ether2426-08-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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