1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-dimethylhexadecan-1-amine oxide

2.1.2 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

2.1.3 InChI Key

IBOBFGGLRNWLIL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)[O-]

2.2 Other Identifiers

2.2.1 UNII

9DJ9RBA18Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 7128-91-8

2. Palmitamine Oxide

3. Hexadecyldimethylamine Oxide

4. N,n-dimethylhexadecan-1-amine Oxide

5. 9dj9rba18z

6. N,n-dimethylhexadecylamine N-oxide

7. Cetamine Oxide

8. Unii-9dj9rba18z

9. Hexadecyl(dimethyl)amine Oxide

10. 1-hexadecanamine, N,n-dimethyl-, N-oxide

11. Einecs 230-429-0

12. Cetyl Dimethyl Amine Oxide

13. Palmityl Dimethylamine Oxide

14. Schembl27564

15. Palmitamine Oxide [ii]

16. Dtxsid2051471

17. Palmitamine Oxide [inci]

18. Zinc59163030

19. N,n-dimethyl-1-hexadecanamine-n-oxide

20. W-110197

21. Q27272399

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₉NO
Molecular Weight	285.5 g/mol
XLogP3	7.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	285.303164868 g/mol
Monoisotopic Mass	285.303164868 g/mol
Topological Polar Surface Area	18.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	192
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

1-Hexadecanamine,N,N-Dimethyl-, N-Oxide