n-Hexadecyltrimethyl-d9-ammonium bromide

Catalog	DGS95217144
CAS	95217-14-4
Synonyms	Hexadecyltrimethylammonium bromide-D9
IUPAC Name	hexadecyl-tris(trideuteriomethyl)azanium;bromide
Molecular Weight	373.51
Molecular Formula	C19H33D9BrN
Canonical SMILES	C1CN=C(N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C=NNC5=NCCN5
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/i2D3,3D3,4D3;
InChI Key	LZZYPRNAOMGNLH-WWMMTMLWSA-M
Purity	99 atom % D
Complexity	181
Exact Mass	372.30655
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	[2H]C([2H])([2H])[N+](CCCCCCCCCCCCCCCC)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-]
Isotopic Enrichment	99 atom % D
Monoisotopic Mass	372.30655
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