N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride
Basic information
- CAS
19845-41-1- Standard SMILES
CCCCCCCCCCC(O)C[N+](C)(CCO)Cc1ccccc1.[Cl-]- InChIKey
VNHUKFSXXYAFRU-UHFFFAOYSA-M- Molecular formula
- C22H40ClNO2
- Average molar mass
- 386 g/mol
- Monoisotopic mass
- 385.2747572
Names & identifiers
- Preferred name
- N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride
- IUPAC
- benzyl-(2-hydroxydodecyl)-(2-hydroxyethyl)-methylazanium chloride
Names & synonyms
446J5HAO2JUNII-446J5HAO2JN-METHYL-N-(2-HYDROXYETHYL)-N-(2-HYDROXYDODECYL)-N-BENZYL AMMONIUM CHLORIDE19845-41-1Benzenemethanaminium, N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-N-methyl-, chloride (1:1)SCHEMBL2167568
Database identifiers
- CAS
19845-41-1- PubChem CID
- 32332
- UNII
- 446J5HAO2J
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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