Synonyms
Dioctadecyl dimethyl ammonium bromide
IUPAC Name
dimethyl(dioctadecyl)azanium;bromide
Molecular Weight
630.95
Molecular Formula
C38H80BrN
Canonical SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
InChI
InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
InChI Key
PSLWZOIUBRXAQW-UHFFFAOYSA-M
Melting Point
~160 °C
Purity
99%
Density
1.047 g/cm³
Appearance
Off-white solid
Storage
-20 °C
Complexity
391
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
EC Number
223-037-6
Exact Mass
629.54741
Formal Charge
0
H-Bond Acceptor
1
Heavy Atom Count
40
Isomeric SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
MDL Number
MFCD00041975
Monoisotopic Mass
629.54741
Physical State
Solid
Rotatable Bond Count
34
Topological Polar Surface Area
0 Ų
UNII
Z5T47R065A
