Dodecylethyldimethylammonium bromide

• CAS: 68207-00-1
• Catalog Number: ACM68207001
• Category: Other Products
• Molecular Weight: 322.37
• Molecular Formula: C16H36BrN
• Synonyms: Dimethyldodecylethylammonium bromide; Dodecyldimethylethylammonium bromide
• IUPAC Name: dodecyl-ethyl-dimethylazanium;bromide
• 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.)
• Solubility: Soluble in water (50 mg/mL)
• Appearance: Powder
• Storage: Ambient
• Active Content: 90%
• Complexity: 152
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• 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
• Physical State: Solid
• Rotatable Bond Count: 12
• Storage Conditions: 4 °C
• Topological Polar Surface Area: 0 Ų