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CAS No.: | 71662-64-1 |
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Name: | N,N-Dimethyl-2-hexadecanamineN-oxide |
Molecular Structure: | |
Formula: | C18H39NO |
Molecular Weight: | 285.51376 |
Synonyms: | N,N-Dimethyl-2-hexadecanamineN-oxide; |
PSA: | 29.43000 |
LogP: | 6.06120 |
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The CAS register number of 2-Hexadecanamine,N,N-dimethyl-, N-oxide is 71662-64-1. It also can be called as N,N-Dimethyl-2-hexadecanamineN-oxide and the systematic name about this chemical is dimethyl(1-methylpentadecyl)amine oxide. The molecular formula about this chemical is C18H39NO and the molecular weight is 285.51376.
Physical properties about 2-Hexadecanamine,N,N-dimethyl-, N-oxide are: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/LogD (pH 7.4): 5.21; (5)ACD/BCF (pH 5.5): 4679.11; (6)ACD/BCF (pH 7.4): 5388.44; (7)ACD/KOC (pH 5.5): 14159.09; (8)ACD/KOC (pH 7.4): 16305.52; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 17.07 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: C[N+]([O-])(C)C(C)CCCCCCCCCCCCCC
(2)InChI: InChI=1/C18H39NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3,4)20/h18H,5-17H2,1-4H3
(3)InChIKey: YTMRCGDXXPVCNT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H39NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3,4)20/h18H,5-17H2,1-4H3
(5)Std. InChIKey: YTMRCGDXXPVCNT-UHFFFAOYSA-N