1-(Dodecyloxy)-N,N-dimethyl-1-oxopropan-2-amine Oxide - CAS 932713-52-5

Catalog:	BB066650
Product Name:	1-(Dodecyloxy)-N,N-dimethyl-1-oxopropan-2-amine Oxide
CAS:	932713-52-5
Synonyms:	Dodecyl-2-(N,N-Dimethylamino)-propionate N-Oxide; DDAIP N-Oxide

Technical Data

IUPAC Name:	1-dodecoxy-N,N-dimethyl-1-oxopropan-2-amine oxide
Description:	1-(Dodecyloxy)-N,N-dimethyl-1-oxopropan-2-amine oxide, is a derivative of DDIP, which is a pharmaceutical reagent added to topical products to increase penetration through the skin.
Molecular Weight:	301.46
Molecular Formula:	C17H35NO3
Canonical SMILES:	CCCCCCCCCCCCOC(=O)C(C)[N+](C)(C)[O-]
InChI:	InChI=1S/C17H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-21-17(19)16(2)18(3,4)20/h16H,5-15H2,1-4H3
InChI Key:	PEAARLASSPPRBP-UHFFFAOYSA-N
References:	Novotny, J., et al. Pharmac. Res., 26, 811 (2009); Hu, L., et al. Internation. J. Pharmaceut., 421, 53 (2011).

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.26169398
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	301.26169398
Rotatable Bond Count:	14
Topological Polar Surface Area:	44.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6