Basic information
- CAS
31721-79-6- Standard SMILES
C[NH+](C)CC(OC(=O)c1ccccc1)c1ccccc1.[Cl-]- InChIKey
VEPRHILTQNNKNO-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1182566
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)
- IUPAC
- (2-benzoyloxy-2-phenylethyl)-dimethylazanium chloride
Names & synonyms
31721-79-6DTXSID609536692-(Dimethylamino)-1-phenylethyl benzoatato--hydrogen chlorido (1/1)RefChem:1061744DTXCID101381715alpha-((Dimethylamino)methyl)benzyl alcohol benzoate (ester) hydrochlorideBENZYL ALCOHOL, alpha-((DIMETHYLAMINO)METHYL)-, BENZOATE (ester), HYDROCHLORIDE
Database identifiers
- CAS
31721-79-6- PubChem CID
- 35880
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…