Structural formula
| Business number | 03EN |
|---|---|
| Molecular formula | C25H46ClN |
| Molecular weight | 396.09 |
| label |
N-Hexadecyl-N,N-dimethylbenzylammonium chloride, Cetylbenzyldimethylammonium chloride, Cetyldimethylbenzylammonium chloride, Hexadecyldimethylbenzyl ammonium chloride (HDBAC), Cetalonium chloride, Dimethylbenzylcetyl ammonium chloride, Benzyl cetyl dimethyl ammonium chloride, Benzyl cetyldimethylammonium chloride hydrate, Dimethylbenzylhexadecylammonium Chloride, Ckc, Cetylkonium Chloride, Cetyldimethylbenzylammonium Chloride, Cetalkonium Chloride, Cetyl Zephiran, Hexadecyl Dimethyl Benzyl Ammonium Chloride, Benzylcetyldimethylammonium Chloride |
Numbering system
CAS number:122-18-9
MDL number:MFCD00011625
EINECS number:204-526-3
RTECS number:BO6822450
BRN number:3802341
PubChem number:24891752
Physical property data
1. Melting point (℃):54-58℃
Toxicological data
1, acute toxicity: oral administration to rats LD：>500mg/kg
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 17
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 27
8. Surface charge: 0
9. Complexity: 291
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
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