Name: LAUROYLCHOLINE CHLORIDE
SKU: 25234-60-0

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Basic Information

Molecular Structure:
CAS No.:	25234-60-0
Name:	LAUROYLCHOLINE CHLORIDE
Article Data:	2

Formula:	C₁₇H₃₆ClNO₂
Molecular Weight:	321.931
Synonyms:	Choline,chloride, laurate (6CI,8CI);Ethanaminium, N,N,N-trimethyl-2-[(1-oxododecyl)oxy]-,chloride (9CI);Lauric acid, ester with choline chloride (8CI);Choline lauratechloride;LM 2MC;Lauroylcholine chloride;N-[b-(Dodecanoyloxy)ethyl]trimethylammonium chloride;O-Lauroylcholine chloride;
EINECS:	246-745-7
Melting Point:	206-208°C
Solubility:	almost transparency
Appearance:	white crystalline solid
PSA:	26.30000
LogP:	1.16070

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Specification

This chemical is called 2-Lauroyloxyethyltrimethylammonium chloride, and its CAS registry number is 25234-60-0. With the molecular formula of C₁₇H₃₆ClNO₂, its molecular weight is 321.93. Additionally, its product categories are Mixed Fatty Acids; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds; Fatty Acid Derivatives & Lipids; Glycerols. It should be stored at the temperature of 2-8°C.

Other characteristics of the 2-Lauroyloxyethyltrimethylammonium chloride can be summarised as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.94; (6)ACD/BCF (pH 7.4): 6.94; (7)ACD/KOC (pH 5.5): 139.25; (8)ACD/KOC (pH 7.4): 139.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å².

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].O=C(OCC[N+](C)(C)C)CCCCCCCCCCC
2.InChI: InChI=1/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1
3.InChIKey: BBJUKVPDIPYNBS-REWHXWOFAK