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Dodecylethyldimethylammonium bromide

Catalog DGS68207001
CAS 68207-00-1
Structure
Synonyms Dimethyldodecylethylammonium bromide; Dodecyldimethylethylammonium bromide
IUPAC Name dodecyl-ethyl-dimethylazanium;bromide
Molecular Weight 322.37
Molecular Formula C16H36BrN
Canonical SMILES CCCCCCCCCCCC[N+](C)(C)CC.[Br-]
InChI InChI=1S/C16H36N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H/q+1;/p-1
InChI Key FFGSPQDSOUPWGY-UHFFFAOYSA-M
Melting Point 185-188 °C (lit.)
Purity ≥98%
Solubility Soluble in water (50 mg/mL)
Appearance Powder
Storage Ambient
Complexity 152
EC Number 269-249-2
Exact Mass 321.20311
Formal Charge 0
Heavy Atom Count 18
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
Isomeric SMILES CCCCCCCCCCCC[N+](C)(C)CC.[Br-]
MDL Number MFCD00043170
Monoisotopic Mass 321.20311
Rotatable Bond Count 12
Storage Conditions 4 °C
Topological Polar Surface Area 0 Ų

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