n-Hexadecyltrimethylammonium-d42 bromide

Catalog	DGS907216288
CAS	907216-28-8
Structure
Synonyms	Hexadecyltrimethylammonium bromide-D42
IUPAC Name	tris(trideuteriomethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontadeuteriohexadecyl)azanium;bromide
Molecular Weight	406.71
Molecular Formula	C19BrD42N
InChI	InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2;
InChI Key	LZZYPRNAOMGNLH-ZBNOAGFHSA-M
Complexity	181
Exact Mass	405.51369
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-]
Isotopic Enrichment	98 atom % D
Monoisotopic Mass	405.51369
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	57-09-0