Synonyms
Benzyldimethyldodecylammonium bromide
IUPAC Name
benzyl-dodecyl-dimethylazanium;bromide
Molecular Weight
384.44
Molecular Formula
C21H38BrN
InChI
InChI=1S/C21H38N.BrH/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/q+1;/p-1
InChI Key
KHSLHYAUZSPBIU-UHFFFAOYSA-M
Melting Point
50-55 °C
Flash Point
110 °C
Purity
≥96.5%
Appearance
Powder
Storage
2-8°C
Assay
0.98
Complexity
240
Covalently-Bonded Unit Count
2
EC Number
230-698-4
Exact Mass
383.21876
Formal Charge
0
H-Bond Acceptor
1
Heavy Atom Count
23
Isomeric SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
MDL Number
MFCD00011768
Monoisotopic Mass
383.21876
Physical State
Light yellow liquid or paste
Rotatable Bond Count
13
Topological Polar Surface Area
0 Ų
UNII
IRY12B2TQ6
