2-Sec-butylpyrazine
Basic information
- CAS
124070-52-6- Standard SMILES
CCC(C)c1cnccn1- InChIKey
NFFQZEXYZVZKNN-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Overview
2-Secbutylpyrazine has been reported in Coffea arabica with data available.
Names & identifiers
- Preferred name
- 2-Sec-butylpyrazine
- IUPAC
- 2-butan-2-ylpyrazine
- English name
- 2-Secbutyl pyrazine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2-Sec-butylpyrazine2-(sec-Butyl)pyrazine29460-93-3124070-52-62-SECBUTYL PYRAZINE2-butan-2-ylpyrazine2-(1-Methylpropyl)pyrazine2-(butan-2-yl)pyrazinePyrazine, 2-(1-methylpropyl)-sec-butylpyrazine1-methylpropylpyrazine3-sec-butyl pyrazine
Show more names
Pyrazine, (1-methylpropyl)SCHEMBL294331SCHEMBL294332SCHEMBL295095SCHEMBL12694263SCHEMBL17103365SCHEMBL17103395SCHEMBL17103556
Database identifiers
- CAS
124070-52-6、29460-93-3- PubChem CID
- 528053
- DTXSID
DTXSID50335935- Nikkaji
- J586.529H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.3
Physicochemical properties
- LogP
- 1.791 · 1.791 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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