N-(2-Hydroxyethyl)-N,N-dimethyl-1-octadecanaminium
Basic information
- CAS
45280-10-2- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCO- InChIKey
KDOKFXJQGPCGLT-UHFFFAOYSA-N- Molecular formula
- C22H48NO+
- Average molar mass
- 342.6 g/mol
- Monoisotopic mass
- 342.37359016
Names & identifiers
- Preferred name
- N-(2-Hydroxyethyl)-N,N-dimethyl-1-octadecanaminium
- IUPAC
- 2-hydroxyethyl-dimethyl-octadecylazanium
Names & synonyms
45280-10-2SCHEMBL239693N-(2-Hydroxyethyl)-N,N-dimethyl-1-octadecanaminiumCHEMBL1180208DTXSID20394115N-(2-hydroxyethyl)-N,N-dimethyloctadecan-1-aminium
Database identifiers
- CAS
45280-10-2- PubChem CID
- 3607463
- DTXSID
DTXSID20394115- ChEMBL
CHEMBL1180208- Nikkaji
- J312.472J
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 240
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Compound notes
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