The Bis(dodecyltrimethylammonium) sulfate with the CAS number 26323-02-4 is also called N,N,N-Trimethyl-1-dodecanaminium sulfate (2:1). The systematic name is bis(N,N,N-trimethyldodecan-1-aminium) sulfate. Its molecular formula is 2(C15H34N).SO4.
The properties of the Bis(dodecyltrimethylammonium) sulfate are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 22; (6)Polar Surface Area: 88.64 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: C[N+](C)(C)CCCCCCCCCCCC.[O-]S([O-])(=O)=O.CCCCCCCCCCCC[N+](C)(C)C
(2)InChI: InChI=1/2C15H34N.H2O4S/c2*1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-5(2,3)4/h2*5-15H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
(3)InChIKey: XCCCPSSXVCKQLA-NUQVWONBAW
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