Propyl pyrazinoate
Basic information
- CAS
73763-87-8- Standard SMILES
CCCOC(=O)c1cnccn1- InChIKey
AQMXNGDQEPGTRM-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- Propyl pyrazinoate
- IUPAC
- propyl pyrazine-2-carboxylate
- English name
- Pyrazinecarboxylic acid, propyl ester (9CI)
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
Propyl pyrazinoaten-Propyl pyrazinoate73763-87-8DTXSID50224118RefChem:176518DTXCID50146609propyl pyrazine-2-carboxylateBRN 0777399Pyrazinecarboxylic acid, propyl ester5-25-04-00177 (Beilstein Handbook Reference)CHEMBL19792SCHEMBL8408307
Show more names
propyl pyrazinecarboxylate2-Pyrazinecarboxylic acid, propyl esterPyrazinecarboxylic acid, propyl ester (9CI)
SCHEMBL8860798AQMXNGDQEPGTRM-UHFFFAOYSA-NAKOS008948356
Database identifiers
- CAS
73763-87-8- PubChem CID
- 72507
- DTXSID
DTXSID50224118- ChEMBL
CHEMBL19792- Nikkaji
- J477.925H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 253.5 · 253.5±20.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- -1.07 · -1.07±0.10(Predicted)
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Related reactions
1 records
Compound notes
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