Basic information
- CAS
20546-18-3- Standard SMILES
CB1N(C)N=NN1C- InChIKey
DFAXTGNYQWFIBM-UHFFFAOYSA-N- Molecular formula
- C3H9BN4
- Average molar mass
- 111.94 g/mol
Names & identifiers
- Preferred name
- 1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-
- IUPAC
- 1,4,5-trimethyltetrazaborole
- English name
- 4,5-Dihydro-1,4,5-trimethyl-1H-tetrazaborole
- Molecular formula
- C3H9BN4
- Molecular weight
- 111.94
Names & synonyms
.delta.2-Tetrazaboroline, 1,4,5-trimethyl-1H-Tetrazaborole, 4,5-dihydro-1,4,5-trimethyl-DFAXTGNYQWFIBM-UHFFFAOYSA-NDB-3052524,5-Dihydro-1,4,5-trimethyl -1h-tetrazaborole1,4,5-Trimethyl-4,5-dihydro-1H-1,2,3,4,5-tetraazaborole #20546-18-34,5-Dihydro-1,4,5-trimethyl-1H-tetrazaborole
Database identifiers
- CAS
20546-18-3- Nikkaji
- J110.450K
Properties
Computed structural properties
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 77.6 · 77.6±23.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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