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| CAS No.: | 25234-60-0 |
|---|---|
| Name: | LAUROYLCHOLINE CHLORIDE |
| Molecular Structure: | |
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| 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