Basic information
- CAS
67032-36-4- Standard SMILES
COc1ccc(C(CN(C)C)OC(=O)c2ccccc2)cc1- InChIKey
SDGMUMOTSJQUGI-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl benzoate
- IUPAC
- [2-(dimethylamino)-1-(4-methoxyphenyl)ethyl] benzoate
- English name
- 2-(Dimethylamino)-1-(p-methoxyphenyl)ethyl=benzoate
- Molecular formula
- C18H21NO3
- Molecular weight
- 299.36
Names & synonyms
67032-36-4DTXSID909859732-(Dimethylamino)-1-(4-methoxyphenyl)ethyl benzoateRefChem:1061738DTXCID901413162BRN 3409883beta-Benzoyloxy-beta-4-methoxyphenylethyl dimethylamineBENZOIC ACID, 2-(DIMETHYLAMINO)-1-(p-METHOXYPHENYL)ETHYL ESTER2-13-00-00491 (Beilstein Handbook Reference)2-(Dimethylamino)-1-(p-methoxyphenyl)ethyl=benzoateBenzenemethanol, α-[(dimethylamino)methyl]-4-methoxy-, 1-benzoate
Database identifiers
- CAS
67032-36-4- PubChem CID
- 49020
- DTXSID
DTXSID90985973- Nikkaji
- J83.365G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 418.6 · 418.6±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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