Basic information
- CAS
38739-71-8- Standard SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CC(O)CCl.[Cl-]- InChIKey
UVIVAMFWGTYFHV-UHFFFAOYSA-M- Molecular formula
- C21H45Cl2NO
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 397.2878204
Names & identifiers
- Preferred name
- (3-Chloro-2-hydroxypropyl)cetyldimethylammonium chloride
- IUPAC
- (3-chloro-2-hydroxypropyl)-hexadecyl-dimethylazanium chloride
Names & synonyms
5F8E30RZ76(3-Chloro-2-hydroxypropyl)cetyldimethylammonium chlorideUNII-5F8E30RZ7638739-71-8Cetyldimethyl(3-chloro-2-hydroxypropyl)ammonium chloride(3-Chloro-2-hydroxypropyl)hexadecyldimethylammonium chloride1-Hexadecanaminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)SCHEMBL2890162
Database identifiers
- CAS
38739-71-8- PubChem CID
- 21189200
- UNII
- 5F8E30RZ76
- EC Number
- 882-837-9
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…