Basic information
- CAS
91822-42-3- Standard SMILES
N#Cc1ccc(N)cc1-c1ccccc1- InChIKey
UBZMQCVJRZKVNK-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439832
Names & identifiers
- Preferred name
- 5-Aminobiphenyl-2-carbonitrile
- IUPAC
- 4-amino-2-phenylbenzonitrile
- English name
- [1,1'-Biphenyl]-2-carbonitrile, 5-amino-
- Molecular formula
- C13H10N2
- Molecular weight
- 194.23
Names & synonyms
91822-42-35-Amino[1,1'-biphenyl]-2-carbonitrile5-aminobiphenyl-2-carbonitrile4-Cyano-3-phenylanilineSCHEMBL2958151UBZMQCVJRZKVNK-UHFFFAOYSA-NDTXSID301286862DB-3819235-Amino[1,1a(2)-biphenyl]-2-carbonitrile[1,1'-Biphenyl]-2-carbonitrile, 5-amino-
Database identifiers
- CAS
91822-42-3- PubChem CID
- 44158282
- DTXSID
DTXSID301286862
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 435.8 · 435.8±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 1.46 · 1.46±0.10(Predicted)
Chemistry & industry
Suppliers1 total
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Related reactions
9 records
Compound notes
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