Basic information
- CAS
110209-31-9- Standard SMILES
Nc1ccc2nc3n(c2c1N)CCC3- InChIKey
IYIZEIVHRDQTFS-UHFFFAOYSA-N- Molecular formula
- C10H12N4
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.1061964
Names & identifiers
- Preferred name
- 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7,8-diamine
- IUPAC
- 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7,8-diamine
- English name
- 1H-Pyrrolo[1,2-a]benzimidazole-7,8-diamine,2,3-dihydro-(9CI)
- Molecular formula
- C10H12N4
- Molecular weight
- 188.23
Names & synonyms
110209-31-92,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7,8-diamine2,3-Dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazole-7,8-diamine1H-Pyrrolo[1,2-a]benzimidazole-7,8-diamine,2,3-dihydro-(9CI)(7-amino-1,2,3,9-tetrahydro-pyrrolo[2,1-b]benzoimidazol-8-yl)-amine1H-Pyrrolo[1,2-a]benzimidazole-7,8-diamine, 2,3-dihydro-
Database identifiers
- CAS
110209-31-9- PubChem CID
- 13802068
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 150 °C · >150 °C (decomp)
- Boiling point
- 494.5 · 494.5±25.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 7.18 · 7.18±0.20(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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