N-(2-Hydroxyethyl)-N,N-dimethylbenzenemethanaminium
Basic information
- CAS
13186-75-9- Standard SMILES
C[N+](C)(CCO)Cc1ccccc1- InChIKey
NEUNOKQNYOCZNP-UHFFFAOYSA-N- Molecular formula
- C11H18NO+
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.1388392
Names & identifiers
- Preferred name
- N-(2-Hydroxyethyl)-N,N-dimethylbenzenemethanaminium
- IUPAC
- benzyl-(2-hydroxyethyl)-dimethylazanium
Names & synonyms
AMMONIUM, BENZYLDIMETHYL(2-HYDROXYETHYL)-13186-75-9DTXSID50157230RefChem:1091051N-(2-Hydroxyethyl)-N,N-dimethylbenzenemethanaminiumDTXCID9079721Benzyl dimethylcholineN-BenzyldimethylethanolammoniumBenzyldimethyl(2-hydroxyethyl)ammoniumBRN 3666161SCHEMBL434165CHEMBL1180283
Show more names
N-Benzyl-2-hydroxy-N,N-dimethylethan-1-aminium
Database identifiers
- CAS
13186-75-9- PubChem CID
- 25772
- DTXSID
DTXSID50157230- ChEMBL
CHEMBL1180283- Nikkaji
- J215.859K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 139
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Compound notes
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