CAS 23464-77-9 | Ethanaminium, N,N,N-trimethyl-2-[(1-oxododecyl)oxy]- | CAS Number 23464-77-9

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23464-77-9 | Ethanaminium, N,N,N-trimethyl-2-[(1-oxododecyl)oxy]-

CAS No: 23464-77-9 Catalog No: AG002NBU MDL No:

Product Description

Catalog Number:

AG002NBU

Chemical Name:

Ethanaminium, N,N,N-trimethyl-2-[(1-oxododecyl)oxy]-

CAS Number:

23464-77-9

Molecular Formula:

C17H36NO2+

Molecular Weight:

286.4732

IUPAC Name:

2-dodecanoyloxyethyl(trimethyl)azanium

InChI:

InChI=1S/C17H36NO2/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4/h5-16H2,1-4H3/q+1

InChI Key:

QUDMPGCGJQLFPF-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCC(=O)OCC[N+](C)(C)C

Properties

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.275g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.48g/mol

Monoisotopic Mass:

286.275g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3

Literature

Title	Journal
Biotransformation of alkanoylcholines under methanogenic conditions.	Water research 20120601
Nanoparticles from lipid-based liquid crystals: emulsifier influence on morphology and cytotoxicity.	The journal of physical chemistry. B 20100318
Soft antimicrobial agents: synthesis and activity of labile environmentally friendly long chain quaternary ammonium compounds.	Journal of medicinal chemistry 20030911