4-[(3-Aminophenyl)methylamino]benzoic acid
Basic information
- CAS
7377-09-5- Standard SMILES
Nc1cccc(CNc2ccc(C(=O)O)cc2)c1- InChIKey
RWCBGWRTRAOTBP-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 4-[(3-Aminophenyl)methylamino]benzoic acid
- IUPAC
- 4-[(3-aminophenyl)methylamino]benzoic acid
Names & synonyms
7377-09-54-[(3-aminophenyl)methylamino]benzoic acidNSC210545DTXSID70308989NSC-2105454-{[(3-Aminophenyl)methyl]amino}benzoic acid
Database identifiers
- CAS
7377-09-5- PubChem CID
- 308677
- DTXSID
DTXSID70308989
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
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Compound notes
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