Home >> Chemicals Listing >> hot product list by Q  

Quaternary ammoniumcompounds, C12-14-alkyl[(ethylphenyl)methyl]dimethyl, chlorides (85409-23-0)

Identification
Name:Quaternary ammoniumcompounds, C12-14-alkyl[(ethylphenyl)methyl]dimethyl, chlorides
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
CAS:85409-23-0
EINECS: 287-090-7
Molecular Formula: C23H42ClN
Molecular Weight: 368.0393
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
Molecular Structure: (C23H42ClN) Alkylbenzyldimethylammoniumchlorides, C12-14-alkyl[(ethylphenyl)methyl]dimethyl;C12-14-alkyl(ethylbe...
Properties
Density:g/cm3
Specification:

The?C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride,?with CAS registry number?85409-23-0,?has the systematic name of?N-(4-ethylbenzyl)-N,N-dimethyldodecan-1-aminium chloride. And the chemical formula of this chemical is?C23H42ClN.

Physical properties of?C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride:?(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??2.

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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: IHDIFQKZWSOIBB-UHFFFAOYSA-M

Safety Data
 

Other Product