n-Hexadecylpyridinium-d5 bromide

Catalog	DGS143715917
CAS	143715-91-7
Structure
Synonyms	D5-Cetylpyridinium bromide
IUPAC Name	2,3,4,5,6-pentadeuterio-1-hexadecylpyridin-1-ium;bromide
Molecular Weight	389.47
Molecular Formula	C21D5H33BrN
InChI	InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1/i15D,17D,18D,20D,21D;
InChI Key	DVBJBNKEBPCGSY-KQSXXJGDSA-M
Complexity	208
Exact Mass	388.25015
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C1=C(C(=[N+](C(=C1[2H])[2H])CCCCCCCCCCCCCCCC)[2H])[2H].[Br-]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	388.25015
Rotatable Bond Count	15
Stability	Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions	Room temperature
Topological Polar Surface Area	3.9 Ų
Unlabeled CAS	140-72-7