2-(4-Aminoanilino)benzoic acid
Basic information
- CAS
41139-95-1- Standard SMILES
Nc1ccc(Nc2ccccc2C(=O)O)cc1- InChIKey
UQBGXJCUJOULGZ-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- 2-(4-Aminoanilino)benzoic acid
- IUPAC
- 2-(4-aminoanilino)benzoic acid
- English name
- 2-[(4-Aminophenyl)amino]benzoic acid
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
41139-95-12-(4-aminoanilino)benzoic acidNSC1706672-[(4-aminophenyl)amino]benzoic acidSCHEMBL2128794SCHEMBL29740645DTXSID00305401NSC-170667N-(p-aminophenyl)anthranilic acidBenzoic acid, 2-[(4-aminophenyl)amino]-
Database identifiers
- CAS
41139-95-1- PubChem CID
- 298499
- DTXSID
DTXSID00305401- Nikkaji
- J89.401J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 202 °C · 202 °C
- Boiling point
- 439.4 · 439.4±25.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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