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Basic Information |
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Name |
Cetyltrimethylammonium hydrogensulfate |
EINECS | 269-286-4 |
CAS No. | 68214-07-3 | Density | N/A |
PSA | 85.81000 | LogP | 6.25930 |
Solubility | N/A | Melting Point |
250-260 °C (dec.)(lit.)
|
Formula | C19H42N.HSO4 | Boiling Point | N/A |
Molecular Weight | 380.61 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes |
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Molecular Structure |
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Hazard Symbols | R36/38:; |
Synonyms |
Hexadecyltrimethylammonium hydrogen sulphate; |
The Cetyltrimethylammonium hydrogensulfate, with the CAS registry number of 68214-07-3, is also known as Hexadecyltrimethylammonium hydrogen sulphate. This chemical's molecular formula is C19H42NO4S and molecular weight is 380.61. What's more, its systematic name is Hexadecyl-trimethyl-ammonium sulfate.
Physical properties about are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13; (8)ACD/KOC (pH 7.4): 13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 88.64 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES:C[N+](C)(C)CCCCCCCCCCCCCCCC.[O-]S([O-])(=O)=O
(2) InChI:InChI=1/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2
(3) InChIKey:UCRJJNVFJGKYQT-NUQVWONBAV