Basic information
- CAS
58390-79-7- Standard SMILES
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1- InChIKey
SIIGVROYKMLTGO-UHFFFAOYSA-N- Molecular formula
- C23H40Cl2N+
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 400.2537807
Names & identifiers
- Preferred name
- 3,4-Dichloro-N,N-dimethyl-N-tetradecylbenzenemethanaminium
- IUPAC
- (3,4-dichlorophenyl)methyl-dimethyl-tetradecylazanium
Names & synonyms
UC4L3X56283,4-Dichloro-N,N-dimethyl-N-tetradecylbenzenemethanaminiumUNII-UC4L3X562858390-79-7Benzenemethanaminium, 3,4-dichloro-N,N-dimethyl-n-tetradecyl-CHEMBL3275189
Database identifiers
- CAS
58390-79-7- PubChem CID
- 64682
- ChEMBL
CHEMBL3275189- UNII
- UC4L3X5628
- Nikkaji
- J281.526E
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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