Specification: |
The Dodecyl(ethylbenzyl)dimethylammonium chloride with cas registry number of 27479-28-3, has the systematic name of N-(2-ethylbenzyl)-N,N-dimethyldodecan-1-aminium chloride. And its IUPAC name is dodecyl-[(4-ethylphenyl)methyl]-dimethylazanium chloride. Besides this, it is also named benzenemethanaminium, N-dodecyl-2-ethyl-N,N-dimethyl-, chloride (1:1).
Physical properties about this chemical are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 14.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].C[N+](C)(Cc1ccccc1CC)CCCCCCCCCCCC;
(2)InChI: InChI=1/C23H42N.ClH/c1-5-7-8-9-10-11-12-13-14-17-20-24(3,4)21-23-19-16-15-18-22(23)6-2;/h15-16,18-19H,5-14,17,20-21H2,1-4H3;1H/q+1;/p-1;
(3)InChIKey: ZMWIUPYOXHEWCQ-REWHXWOFAL;
(4)Std. InChI: InChI=1S/C23H42N.ClH/c1-5-7-8-9-10-11-12-13-14-17-20-24(3,4)21-23-19-16-15-18-22(23)6-2;/h15-16,18-19H,5-14,17,20-21H2,1-4H3;1H/q+1;/p-1;
(5)Std. InChIKey: ZMWIUPYOXHEWCQ-UHFFFAOYSA-M
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