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Decyltrimethylammonium chloride

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Name

Decyltrimethylammonium chloride

EINECS 233-299-3
CAS No. 10108-87-9 Density N/A
PSA 0.00000 LogP 0.83730
Solubility almost transparency Melting Point N/A
Formula C13H30N.Cl Boiling Point N/A
Molecular Weight 235.841 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10108-87-9 (Decyltrimethylammonium chloride) Hazard Symbols IrritantXi
Synonyms

1-Decanaminium,N,N,N-trimethyl-, chloride (9CI);Ammonium, decyltrimethyl-, chloride (8CI);Decyltrimethylammonium chloride (7CI);Capryltrimethylammonium chloride;Trimethylcaprylammonium chloride;n-Decyltrimethylammonium chloride;1-decanaminium, N,N,N-trimethyl-, chloride (1:1);N,N,N-Trimethyldecan-1-aminium chloride;

 

Decyltrimethylammonium chloride Specification

The Decyltrimethylammonium chloride, with the CAS registry number 10108-87-9 and EINECS registry number 233-299-3, has the systematic name of N,N,N-trimethyldecan-1-aminium chloride. It belongs to the following product categories: Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds. And the molecular formula of the chemical is C13H30N.Cl.

The characteristics of Decyltrimethylammonium chloride are as followings: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.8; (8)ACD/KOC (pH 7.4): 18.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 0 Å2.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Cl-].C(CCCC[N+](C)(C)C)CCCCC
(2)InChI: InChI=1/C13H30N.ClH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: HXWGXXDEYMNGCT-REWHXWOFAY

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