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(C12-C18) Alkyldimethylbenzyl ammonium chloride

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Name

(C12-C18) Alkyldimethylbenzyl ammonium chloride

EINECS 269-919-4
CAS No. 68391-01-5 Density 0.98 g/cm3
Solubility Melting Point
Formula C23H42ClN Boiling Point 100oC
Molecular Weight 368.04 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 68391-01-5 (N-Benzyl-N,N-dimethyltetradecan-1-aminium chloride) Hazard Symbols
Synonyms

Alkylbenzyldimethylammoniumchlorides, benzyl-C12-18-alkyldimethyl;Arquad HTB 75;BTC 824;Barquat MX;Benzyl-C12-18-alkyldimethyl, chlorides quaternary ammonium compounds;Benzyl-C12-18-alkyldimethylammonium chlorides;Bionol RO 50;C12-18 alkylbenzyldimethyl, chlorides quaternary ammonium compds.;Diaserver ZF 226;Dodigen226;Maquat MC 1416;Quaternary ammonium compounds, C12-18 alkylbenzyldimethyl,chlorides;Quaternaryammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides;Benzalkonium chloride;

 

(C12-C18) Alkyldimethylbenzyl ammonium chloride Specification

The (C12-C18) Alkyldimethylbenzyl ammonium chloride, with the CAS registry number 68391-01-5, is also known as Quaternaryammonium compounds, benzyl-C12-18-alkyldimethyl, chlorides. Its EINECS number is 269-919-4. This chemical's molecular formula is C23H42ClN and formula weight is 368.04. What's more, its IUPAC name is benzyl-dimethyl-tetradecylazanium chloride.

Physical properties of (C12-C18) Alkyldimethylbenzyl ammonium chloride are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.45; (6)ACD/KOC (pH 5.5): 584.26; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 15; (10)Heavy Atom Count: 25; (11)Complexity: 265; (12)Covalently-Bonded Unit Count: 2; (13)Dendity: 0.98 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
(2)InChI: InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: OCBHHZMJRVXXQK-UHFFFAOYSA-M

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