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
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
