4'-Aminobiphenyl-2-carboxylic acid
Basic information
- CAS
25829-61-2- Standard SMILES
Nc1ccc(-c2ccccc2C(=O)O)cc1- InChIKey
DHTPJFVSTBGVFV-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- 4'-Aminobiphenyl-2-carboxylic acid
- IUPAC
- 2-(4-aminophenyl)benzoic acid
- English name
- 2-(4-Aminophenyl)benzoic acid
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
4'-aminobiphenyl-2-carboxylic acid25829-61-2DTXSID60346370RefChem:283380DTXCID502974432-(4-aminophenyl)benzoic acid4'-aMino-[1,1'-biphenyl]-2-carboxylic acidMFCD00455851[1,1'-Biphenyl]-2-carboxylic acid, 4'-amino-8541AD4'-Amino[1,1'-biphenyl]-2-carboxylic acidOprea1_439806
Show more names
4'-Amino-biphenyl-2-carboxylic acid4′-aminobiphenyl-2-carboxylic acid, CAS 25829-61-2
SCHEMBL3460410SCHEMBL29369564DHTPJFVSTBGVFV-UHFFFAOYSA-NHMS1578G18ALBB-010293Benzoesaure-[amino-2-phenyl]-esterBenzoic acid, 2-(4-aminophenyl)-SBB050305
Database identifiers
- CAS
25829-61-2- PubChem CID
- 611615
- DTXSID
DTXSID60346370- Nikkaji
- J88.400F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 215 · 215-216 °C
- Boiling point
- 391.4 · 391.4±17.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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