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Name |
2-Hexadecanamine,N,N-dimethyl-, N-oxide |
EINECS | N/A |
CAS No. | 71662-64-1 | Density | N/A |
PSA | 29.43000 | LogP | 6.06120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H39NO | Boiling Point | N/A |
Molecular Weight | 285.51376 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N,N-Dimethyl-2-hexadecanamineN-oxide; |
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