3-(1H-Benzimidazol-1-yl)propanal
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Basic information
- CAS
153893-09-5- Standard SMILES
O=CCCn1cnc2ccccc21- InChIKey
HRUAWKZCCFADRR-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931294
Names & identifiers
- Preferred name
- 3-(1H-Benzimidazol-1-yl)propanal
- IUPAC
- 3-(benzimidazol-1-yl)propanal
- English name
- 1H-Benzimidazole-1-propanal(9CI)
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
153893-09-5DTXSID506215673-(1H-Benzimidazol-1-yl)propanalRefChem:273287DTXCID305723213-(Benzimidazol-1-yl)propanal1H-Benzimidazole-1-propanal(9CI)1-(3-oxopropyl)benzimidazoleSCHEMBL4070365HRUAWKZCCFADRR-UHFFFAOYSA-NAKOS0123386333-(1H-1,3-Benzimidazol-1-yl)propanal
Show more names
1H-Benzimidazole-1-propanal
Database identifiers
- CAS
153893-09-5- PubChem CID
- 22018549
- DTXSID
DTXSID50621567
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 340.4 · 340.4±44.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 5.08 · 5.08±0.10(Predicted)
Related reactions
4 records
Compound notes
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