Synonyms
n-Dodecyl trimethylammonium bromide; N,N,N-trimethyl-1-dodecanaminium bromide
IUPAC Name
dodecyl(trimethyl)azanium;bromide
Molecular Weight
308.34
Molecular Formula
C15H34BrN
Canonical SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChI Key
XJWSAJYUBXQQDR-UHFFFAOYSA-M
Melting Point
246 °C
Flash Point
246°C
Purity
99%
Solubility
water, 995.5 mg/L @ 25 °C (est)
Appearance
White crystal powder
Storage
Store below +30°C.
Assay
0.98
Complexity
135
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
EC Number
214-290-3
Exact Mass
307.18746
Formal Charge
0
H-Bond Acceptor
1
Heavy Atom Count
17
Isomeric SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Br-]
MDL Number
MFCD00011767
Monoisotopic Mass
307.18746
Physical State
Powder
Rotatable Bond Count
11
Stability
Stable under normal temperatures and pressures.
Topological Polar Surface Area
0 Ų
UNII
6IC8NZ97S2
