3-Ethynyl-2,5-dimethylpyrazine
Basic information
- CAS
86521-02-0- Standard SMILES
C#Cc1nc(C)cnc1C- InChIKey
LTLWOMPANQWIQY-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
Names & identifiers
- Preferred name
- 3-Ethynyl-2,5-dimethylpyrazine
- IUPAC
- 3-ethynyl-2,5-dimethylpyrazine
- English name
- Pyrazine, 3-ethynyl-2,5-dimethyl- (9CI)
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
3-Ethynyl-2,5-dimethylpyrazine86521-02-0SCHEMBL14305153AKOS040821994Pyrazine, 3-ethynyl-2,5-dimethyl-Pyrazine, 3-ethynyl-2,5-dimethyl- (9CI)
Database identifiers
- CAS
86521-02-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 56 · 56-57 °C
- Boiling point
- 212.8 · 212.8±40.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 0.59 · 0.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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