Basic information
- CAS
114163-46-1- Standard SMILES
Cc1nc2cccc3c2n1CCN3- InChIKey
GRSYYPBLZLNCSF-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- 2-Methyl-5,6-dihydro-4H-imidazo[1,5,4-de]quinoxaline
- IUPAC
- 2-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
- English name
- 4H-Imidazo[1,5,4-de]quinoxaline,5,6-dihydro-2-methyl-(6CI)
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
114163-46-12-Methyl-5,6-dihydro-4H-imidazo[1,5,4-de]quinoxaline4H-Imidazo[1,5,4-de]quinoxaline,5,6-dihydro-2-methyl-DTXSID203285964H-Imidazo[1,5,4-de]quinoxaline,5,6-dihydro-2-methyl-(6CI)2-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraeneDB-2836234H-IMIDAZO[1,5,4-DE]QUINOXALINE, 5,6-DIHYDRO-2-METHYL-5,6-DIHYDRO-2-METHYL-4H-IMIDAZO[1,5,4-DE]QUINOXALINE
Database identifiers
- CAS
114163-46-1- PubChem CID
- 412304
- DTXSID
DTXSID20328596
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 417.6 · 417.6±24.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 6.77 · 6.77±0.20(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…