Basic information
- CAS
2811-31-6- Standard SMILES
CC(=O)Nc1ccc(C(=O)OCCN(C)C)cc1- InChIKey
FZLZGULUHIGIOT-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 4-(acetylamino)benzoate
- IUPAC
- 2-(dimethylamino)ethyl 4-acetamidobenzoate
- English name
- 2-(dimethylamino)ethyl 4-(acetylamino)benzoate
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
2-(dimethylamino)ethyl 4-acetamidobenzoate2811-31-6EINECS 220-555-4H7GC6FKK492-(Dimethylamino)ethyl 4-(acetylamino)benzoateDTXSID70182387Benzoic acid, p-acetamido-, 2-(dimethylamino)ethyl esterBenzoic acid, 4-(acetylamino)-, 2-(dimethylamino)ethyl ester2-DIMETHYLAMINOETHYL P-ACETAMIDOBENZOATERefChem:84688DTXCID80104878220-555-4
Show more names
4-(Acetylamino)benzoic acid 2-(dimethylamino)ethyl ester
UNII-H7GC6FKK49FZLZGULUHIGIOT-UHFFFAOYSA-NNS00028423
Database identifiers
- CAS
2811-31-6- PubChem CID
- 76053
- DTXSID
DTXSID70182387- UNII
- H7GC6FKK49
- EC Number
- 220-555-4
- Nikkaji
- J306.749A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 433 · 433.0±30.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 14.53 · 14.53±0.70(Predicted)
- FDA UNII
- 7 GC6FKK49 · H7GC6FKK49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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