3,5-Dimethyl-2,4-diazabicyclo[4.2.0]octa-1,3,5-triene
Basic information
- CAS
193968-42-2- Standard SMILES
Cc1nc(C)c2c(n1)CC2- InChIKey
ZHZPJHCTJXMCQJ-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
Names & identifiers
- Preferred name
- 3,5-Dimethyl-2,4-diazabicyclo[4.2.0]octa-1,3,5-triene
- IUPAC
- 3,5-dimethyl-2,4-diazabicyclo[4.2.0]octa-1,3,5-triene
- English name
- 2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene, 3,5-dimethyl- (9CI)
- Molecular formula
- C8H10N2
- Molecular weight
- 134.18
Names & synonyms
2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene, 3,5-dimethyl-2,4-Diazabicyclo[4.2.0]octa-1,3,5-triene, 3,5-dimethyl- (9CI)
Database identifiers
- CAS
193968-42-2- Nikkaji
- J863.945K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 225.4 · 225.4±9.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…