Basic information
- CAS
85780-32-1- Standard SMILES
CC1Cn2cccc2C=N1- InChIKey
PFBGOFZLEOKXSV-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-3,4-dihydropyrrolo[1,2-a]pyrazine
- IUPAC
- 3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine
- English name
- Pyrrolo[1,2-a]pyrazine, 3,4-dihydro-3-methyl- (9CI)
- Molecular formula
- C8H10N2
- Molecular weight
- 134.18
Names & synonyms
85780-32-13-Methyl-3,4-dihydropyrrolo[1,2-a]pyrazinePyrrolo[1,2-a]pyrazine, 3,4-dihydro-3-methyl-Pyrrolo[1,2-a]pyrazine, 3,4-dihydro-3-methyl- (9CI)
Database identifiers
- CAS
85780-32-1
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 17.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 245.6 · 245.6±19.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.40(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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