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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