2-(Dimethylamino)ethyl 4-nitrobenzoate
Basic information
- CAS
38152-22-6- Standard SMILES
CN(C)CCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
RRBKMLUDXQSRPO-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 4-nitrobenzoate
- IUPAC
- 2-(dimethylamino)ethyl 4-nitrobenzoate
- English name
- 4-Nitrobenzoic acid 2-(dimethylamino)ethyl ester
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
2-(dimethylamino)ethyl 4-nitrobenzoate38152-22-6Benzoic acid, 4-nitro-, 2-(dimethylamino)ethyl ester4-nitrobenzoic acid 2-(dimethylamino)ethyl esterTetracaine Impurity 28SCHEMBL11239974DTXSID30358263STL332719AKOS022110538Tetracaine Impurity 29
Database identifiers
- CAS
38152-22-6- PubChem CID
- 883279
- DTXSID
DTXSID30358263- Nikkaji
- J846.260G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 58 · 58-59 °C
- Boiling point
- 200 · 200-202 °C(Press: 1 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 8.1 · 8.10±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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