Hexadecylpyridinium bromide

Catalog	DGS140727
CAS	140-72-7
Structure
Synonyms	Cetylpyridinium bromide
IUPAC Name	1-hexadecylpyridin-1-ium;bromide
Molecular Weight	384.44
Molecular Formula	C21H38BrN
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
InChI Key	DVBJBNKEBPCGSY-UHFFFAOYSA-M
Melting Point	63-69 °C
Appearance	White to cream coloured powder
Complexity	208
EC Number	205-428-3
Exact Mass	383.21876
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
Monoisotopic Mass	383.21876
Rotatable Bond Count	15
Storage Conditions	Room temperature
Topological Polar Surface Area	3.9 Ų