CAS No.85409-23-0,C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85409-23-0
Name:	C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride

Formula:	C₂₃H₄₂ClN
Molecular Weight:	368.04
Synonyms:	Alkylbenzyldimethylammoniumchlorides, C12-14-alkyl[(ethylphenyl)methyl]dimethyl;C12-14-alkyl(ethylbenzyl)dimethylammonium chlorides;C12-14-alkyl[(ethylphenyl)methyl]dimethylammonium chlorides;C12-14-alkyldimethylethylbenzylammonium chlorides;Quaternary ammonium compds.,C12-14-alkyldimethyl[(ethylphenyl)methyl], chlorides;
EINECS:	287-090-7
Density:	0.82[at 20℃]
Solubility:	312mg/L at 20℃
Hazard Symbols:	C,N
Risk Codes:	21/22-34-50
Safety:	26-36/37/39-45-61
PSA:	0.00000
LogP:	0.00000

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Specification

The CAS registry number of C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride is 85409-23-0. The IUPAC name is N-(4-ethylbenzyl)-N,N-dimethyldodecan-1-aminium chloride. Its EINECS registry number is 287-090-7. In addition, the molecula formula of this chemical is C₂₃H₄₂ClN and the molecular weight is 368.04.

Physical properties of C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 64.45; (6)ACD/BCF (pH 7.4): 64.45; (7)ACD/KOC (pH 5.5): 686.49; (8)ACD/KOC (pH 7.4): 686.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 0 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1cc(ccc1C[N+](C)(CCCCCCCCCCCC)C)CC
(2)InChI: InChI=1/C23H42N.ClH/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23;/h16-19H,5-15,20-21H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: IHDIFQKZWSOIBB-REWHXWOFAR