Benzyl-2,3,4,5,6-d5-dimethyl-n-tetradecylammonium bromide

Catalog	DGS1515861683
CAS	1515861-68-3
IUPAC Name	dimethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-tetradecylazanium;bromide
Molecular Weight	417.53
Molecular Formula	C23H37D5BrN
InChI	InChI=1S/C23H42N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1/i15D,16D,17D,19D,20D;
InChI Key	CSNHNGDROQRZKT-DSVPTQILSA-M
Complexity	265
Exact Mass	416.28145
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C[N+](C)(C)CCCCCCCCCCCCCC)[2H])[2H].[Br-]
Isotopic Enrichment	99 atom % D
Monoisotopic Mass	416.28145
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	0 Ų
Unlabeled CAS	18773-88-1