Basic information
- CAS
861554-17-8- Standard SMILES
Cc1nc(C#N)c(C)nc1C#N- InChIKey
GMKHLFIGROLNNF-UHFFFAOYSA-N- Molecular formula
- C8H6N4
- Average molar mass
- 158.16 g/mol
Names & identifiers
- Preferred name
- 3,6-Dimethylpyrazine-2,5-dicarbonitrile
- IUPAC
- 3,6-dimethylpyrazine-2,5-dicarbonitrile
- English name
- 2,5-Pyrazinedinitrile, 3,6-dimethyl- (2CI)
- Molecular formula
- C8H6N4
- Molecular weight
- 158.16
Names & synonyms
3,6-Dimethylpyrazine-2,5-dicarbonitrile861554-17-82,5-Pyrazinedicarbonitrile, 3,6-dimethyl-2,5-Pyrazinedinitrile, 3,6-dimethyl- (2CI)
Database identifiers
- CAS
861554-17-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 207 °C · 207 °C (sublm)(Solv: ethanol (64-17-5))
- Boiling point
- 353 · 353.0±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -6.5 · -6.50±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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