Cetrimonium bromide | SBID = 1587 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C19H42BrN | ||
| M / g/mol: | 364.4 | ||
| Complexity: | 181.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, charged
- Name: Cetrimonium bromide
- Preferred Abbreviation: Cetrimonium bromide
- IUPAC Name: hexadecyl(trimethyl)azanium;bromide
- CAS: 57-09-0
- CID: 5974
- InChiKey: LZZYPRNAOMGNLH-UHFFFAOYSA-M
- InChi: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
- CanoSmiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
- IsoSmiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
