Basic information
- CAS
749144-96-5- Standard SMILES
CCCCCCCCCCC(O)C[N+](C)(CCO)Cc1ccccc1- InChIKey
ZRIBQSSBMWXIDR-UHFFFAOYSA-N- Molecular formula
- C22H40NO2+
- Average molar mass
- 350.6 g/mol
- Monoisotopic mass
- 350.30590452
Names & identifiers
- Preferred name
- Benzenemethanaminium, N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-N-methyl-
- IUPAC
- benzyl-(2-hydroxydodecyl)-(2-hydroxyethyl)-methylazanium
Names & synonyms
J7IT3GHN7VUNII-J7IT3GHN7VBenzenemethanaminium, N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-N-methyl-749144-96-5N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium ionSCHEMBL6435097
Database identifiers
- CAS
749144-96-5- PubChem CID
- 32333
- UNII
- J7IT3GHN7V
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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