Basic information
- CAS
332882-16-3- Standard SMILES
NCCCc1nc2cccnc2[nH]1- InChIKey
DPYVQLWNTYSHEW-UHFFFAOYSA-N- Molecular formula
- C9H12N4
- Average molar mass
- 176.22 g/mol
- Monoisotopic mass
- 176.1061964
Names & identifiers
- Preferred name
- 2-Aminopropyl-4(7)-azo-benzimidazole
- IUPAC
- 3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine
- English name
- 2-AMINOPROPYL-4(7)-AZO-BENZIMIDAZOLE
- Molecular formula
- C9H12N4
- Molecular weight
- 176.22
Names & synonyms
2-AMINOPROPYL-4(7)-AZO-BENZIMIDAZOLE332882-16-33-(1H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PROPAN-1-AMINE3-{1H-imidazo[4,5-b]pyridin-2-yl}propan-1-amineSCHEMBL4719992MFCD06410922AKOS011055733AB25124VS-0249EN300-2043693H-Imidazo[4,5-b]pyridine-2-propanamine
Database identifiers
- CAS
332882-16-3- PubChem CID
- 18671441
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 425.4 · 425.4±25.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- pka
- 11.07 · 11.07±0.40(Predicted)
Chemistry & industry
Suppliers4 total
APAC Pharmaceutical, LLC[email protected]
Leancare Ltd.[email protected]
先进技术工业有限公司[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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