2-Methyl-6-butylpyraine
Basic information
- CAS
32184-46-6- Standard SMILES
CCCCc1cncc(C)n1- InChIKey
UXSNPZYBZGYXMW-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- 2-Methyl-6-butylpyraine
- IUPAC
- 2-butyl-6-methylpyrazine
- English name
- 2-Methyl-6-butylpyrazine
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
2-methyl-6-butylpyraine32184-46-6DTXSID90423865RefChem:263607DTXCID50374703UXSNPZYBZGYXMW-UHFFFAOYSA-N2-Methyl-6-butylpyrazine2-butyl-6-methylpyrazineSCHEMBL293127SCHEMBL511339DB-261325Pyrazine, 2-butyl-6-methyl-
Database identifiers
- CAS
32184-46-6- PubChem CID
- 6428804
- DTXSID
DTXSID90423865- Nikkaji
- J410.644J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 212.5 · 212.5±35.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.10(Predicted)
- LogP
- 2.235 · 2.235 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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