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7128-91-8

Basic Information
CAS No.: 7128-91-8
Name: 1-Hexadecanamine,N,N-dimethyl-, N-oxide
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 7128-91-8 (1-Hexadecanamine,N,N-dimethyl-, N-oxide)
Formula: C18H39NO
Molecular Weight: 285.514
Synonyms: Hexadecylamine,N,N-dimethyl-, N-oxide (7CI,8CI);Admox 16;Ammonyx CO;Aromox DM 16;Aromox DM16D;Barlox 16;Barlox 16S;Cetamine Oxide;Cetyldimethylamine oxide;ConcoXAC;Dimethylcetylamine oxide;Dimethylhexadecylamine oxide;Dimethylpalmitylamine oxide;Hexadecyldimethylamine N-oxide;Hexadecyldimethylamine oxide;N,N-Dimethyl-1-hexadecanamine oxide;N,N-Dimethyl-n-hexadecylamine oxide;N,N-Dimethylhexadecylamine oxide;N-Cetyldimethylamine Oxide;N-Hexadecyl-N,N-dimethylamine oxide;N-Palmityl-N,N-dimethylamine oxide;Palmityldimethylamine oxide;
EINECS: 230-429-0
Density: N/A
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: Viscous Liquid
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 29.43000
LogP: 6.06280
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Specification

The 1-Hexadecanamine,N,N-dimethyl-, N-oxide, with CAS registry number 7128-91-8, has the systematic name of hexadecyl(dimethyl)amine oxide. This chemical is a kind of viscous liquid. And the chemical formula of this chemical is C18H39NO. What's more, its EINECS is 230-429-0.

Physical properties of 1-Hexadecanamine,N,N-dimethyl-, N-oxide: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.32; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 6232.82; (6)ACD/BCF (pH 7.4): 7430.96; (7)ACD/KOC (pH 5.5): 17211.62; (8)ACD/KOC (pH 7.4): 20520.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 17.07 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](CCCCCCCCCCCCCCCC)(C)C
(2)InChI: InChI=1/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h4-18H2,1-3H3
(3)InChIKey: IBOBFGGLRNWLIL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h4-18H2,1-3H3
(5)Std. InChIKey: IBOBFGGLRNWLIL-UHFFFAOYSA-N