2,5-Dimethyl-3-(1-methylpropyl)pyrazine
Basic information
- CAS
70303-41-2- Standard SMILES
CCC(C)c1nc(C)cnc1C- InChIKey
ZARYAQKANXUQPM-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Names & identifiers
- Preferred name
- 2,5-Dimethyl-3-(1-methylpropyl)pyrazine
- IUPAC
- 3-butan-2-yl-2,5-dimethylpyrazine
Names & synonyms
2,5-Dimethyl-3-(1-methylpropyl)pyrazine3-(1-Methylpropyl)-2,5-dimethylpyrazinePyrazine, 2,5-dimethyl-3-(1-methylpropyl)-70303-41-2RefChem:82939ZARYAQKANXUQPM-UHFFFAOYSA-N3-(butan-2-yl)-2,5-dimethylpyrazineDTXSID0012814873-Sec-butyl-2,5-dimethylpyrazine #NS00113847
Database identifiers
- CAS
70303-41-2- PubChem CID
- 586003
- DTXSID
DTXSID001281487- Nikkaji
- J1.118.167H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
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Compound notes
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