2-(Dimethylamino)-1-phenylethyl benzoate
Basic information
- CAS
25314-75-4- Standard SMILES
CN(C)CC(OC(=O)c1ccccc1)c1ccccc1- InChIKey
MRBQJRDPSKIRNL-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-1-phenylethyl benzoate
- IUPAC
- [2-(dimethylamino)-1-phenylethyl] benzoate
- English name
- α-[(Dimethylamino)methyl]benzyl=benzoate
- Molecular formula
- C17H19NO2
- Molecular weight
- 269.34
Names & synonyms
25314-75-4DTXSID009481552-(DIMETHYLAMINO)-1-PHENYLETHYL BENZOATERefChem:1061745DTXCID901376394BRN 2217850beta-Benzoyloxy-beta-phenylethyl dimethylamineBENZOIC ACID, (2-(DIMETHYLAMINO)-1-PHENYL)ETHYL ESTER4-13-00-01803 (Beilstein Handbook Reference)α-[(Dimethylamino)methyl]benzyl=benzoateBenzenemethanol, α-[(dimethylamino)methyl]-, 1-benzoate
Database identifiers
- CAS
25314-75-4- PubChem CID
- 32873
- DTXSID
DTXSID00948155- Nikkaji
- J42.051D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 122 · 122-124 °C(Press: 0.02 Torr)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.28(Predicted)
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Compound notes
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