Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)
Basic information
- CAS
125594-49-2- Standard SMILES
OCC[N+](CCO)(Cc1ccccc1)c1ccccc1.[Cl-]- InChIKey
FHEMNHKDESVKNI-UHFFFAOYSA-M- Molecular formula
- C17H22ClNO2
- Average molar mass
- 307.8 g/mol
- Monoisotopic mass
- 307.1339066
Names & identifiers
- Preferred name
- Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)
- IUPAC
- benzyl-bis(2-hydroxyethyl)-phenylazanium chloride
Names & synonyms
125594-49-2Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chlorideDTXSID00888921Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)RefChem:117621DTXCID201028192FHEMNHKDESVKNI-UHFFFAOYSA-MN-BENZYL-N,N-BIS(2-HYDROXYETHYL)ANILINIUM CHLORIDE
Database identifiers
- CAS
125594-49-2- PubChem CID
- 44150548
- DTXSID
DTXSID00888921
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 252
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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