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| Name |
C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride |
EINECS | 287-090-7 |
| CAS No. | 85409-23-0 | Density | 0.82[at 20℃] |
| PSA | 0.00000 | LogP | 0.00000 |
| Solubility | 312mg/L at 20℃ | Melting Point |
N/A |
| Formula | C23H42ClN | Boiling Point | N/A |
| Molecular Weight | 368.04 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-45-61 | Risk Codes | 21/22-34-50 |
| Molecular Structure |
|
Hazard Symbols | C,N |
| Synonyms |
Alkylbenzyldimethylammoniumchlorides, C12-14-alkyl[(ethylphenyl)methyl]dimethyl;C12-14-alkyl(ethylbenzyl)dimethylammonium chlorides;C12-14-alkyl[(ethylphenyl)methyl]dimethylammonium chlorides;C12-14-alkyldimethylethylbenzylammonium chlorides;Quaternary ammonium compds.,C12-14-alkyldimethyl[(ethylphenyl)methyl], chlorides; |
C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride Specification
The CAS registry number of C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride is 85409-23-0. The IUPAC name is N-(4-ethylbenzyl)-N,N-dimethyldodecan-1-aminium chloride. Its EINECS registry number is 287-090-7. In addition, the molecula formula of this chemical is C23H42ClN and the molecular weight is 368.04.
Physical properties of C12-14-Alkyldimethyl(ethylbenzyl)ammonium chloride are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 64.45; (6)ACD/BCF (pH 7.4): 64.45; (7)ACD/KOC (pH 5.5): 686.49; (8)ACD/KOC (pH 7.4): 686.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 0 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1cc(ccc1C[N+](C)(CCCCCCCCCCCC)C)CC
(2)InChI: InChI=1/C23H42N.ClH/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23;/h16-19H,5-15,20-21H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: IHDIFQKZWSOIBB-REWHXWOFAR
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