Ethyl 3-aminoindolizine-2-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
3351-78-8- Standard SMILES
CCOC(=O)c1cc2ccccn2c1N- InChIKey
HXPVTBZEUKQMKN-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- Ethyl 3-aminoindolizine-2-carboxylate
- IUPAC
- ethyl 3-aminoindolizine-2-carboxylate
- English name
- 2-Indolizinecarboxylicacid,3-amino-,ethylester(7CI,8CI,9CI)
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
ethyl 3-aminoindolizine-2-carboxylate3351-78-8ethyl3-aminoindolizine-2-carboxylate2-Indolizinecarboxylic acid, 3-amino-, ethyl ester2-Indolizinecarboxylicacid,3-amino-,ethylester(7CI,8CI,9CI)
Database identifiers
- CAS
3351-78-8- PubChem CID
- 12884980
- Nikkaji
- J2.928.611F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 71 · 71-72 °C(Solv: ethanol (64-17-5))
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 1.57 · 1.57±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…