2-Butylpyrazine
Basic information
- CAS
29460-91-1- Standard SMILES
CCCCc1cnccn1- InChIKey
TVAVRPSANVGCNH-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- 2-Butylpyrazine
- IUPAC
- 2-butylpyrazine
- English name
- 2-Butyl pyrazine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2-butylpyrazine29460-91-1butylpyrazinePyrazine,2-butyl-butyl pyrazinePyrazine, butylCHEMBL93499SCHEMBL293167SCHEMBL499883SCHEMBL559050SCHEMBL4412197SCHEMBL4925057
Show more names
2-Butyl pyrazine2-Butylpyrazine USP/EP/BP
SCHEMBL4927993SCHEMBL11515740DTXSID70335932TVAVRPSANVGCNH-UHFFFAOYSA-NAKOS006291470DB-086665
Database identifiers
- CAS
29460-91-1- PubChem CID
- 528050
- DTXSID
DTXSID70335932- ChEMBL
CHEMBL93499- Nikkaji
- J570.844C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.3
Physicochemical properties
- Boiling point
- 84 °C · 84 °C(Press: 19 Torr)
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.67 · 1.67±0.10(Predicted)
- LogP
- 1.871 · 1.871 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…