Benzyldodecyldimethylammonium Chloride Dihydrate

Catalog	DGS147228806
CAS	147228-80-6
Synonyms	Benzyldodecyldimethylammonium (Chloride Dihydrate)
IUPAC Name	benzyl-dodecyl-dimethylazanium;chloride;dihydrate
Molecular Weight	376.02
Molecular Formula	C21H42ClNO2
InChI	InChI=1S/C21H38N.ClH.2H₂O/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H;2*1H2/q+1;;;/p-1
InChI Key	ORJHCWPHEPKXRE-UHFFFAOYSA-M
Melting Point	44 °C
Purity	98%
Complexity	240
Exact Mass	375.2904073
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-]
Monoisotopic Mass	375.2904073
Rotatable Bond Count	13
Topological Polar Surface Area	2 Ų