Basic information
- CAS
34549-93-4- Standard SMILES
CCOC(=O)c1[nH]c(C)c(C)c1CC- InChIKey
UNVANZUSIIKDGE-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592878
Names & identifiers
- Preferred name
- Ethyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
- English name
- 3-Ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
Ethyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate34549-93-4DTXSID40345760RefChem:343402DTXCID30296833SCHEMBL42059541H-Pyrrole-2-carboxylic acid, 3-ethyl-4,5-dimethyl-, ethyl esterAKOS024325213DA-066012,3-dimethyl-4-ethyl-5-carbethoxypyrrole2,3-Dimethyl-4-ethyl-5-carbethoxy-pyrroleEthyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate #
Show more names
3-Ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
ETHYL 4,5-DIMETHYL-3-ETHYL-2-PYRROLECARBOXYLATE
Database identifiers
- CAS
34549-93-4- PubChem CID
- 606892
- DTXSID
DTXSID40345760- Nikkaji
- J121.890E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 326.6 · 326.6±30.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- pka
- 16.57 · 16.57±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
3 records
Compound notes
Loading…