3-Amino-2-(2-methylanilino)benzoic acid
Basic information
- CAS
116702-64-8- Standard SMILES
Cc1ccccc1Nc1c(N)cccc1C(=O)O- InChIKey
MLZOLECJXKLWFP-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 3-Amino-2-(2-methylanilino)benzoic acid
- IUPAC
- 3-amino-2-(2-methylanilino)benzoic acid
Names & synonyms
DTXSID1012530713-Amino-2-(2-methylanilino)benzoic acid3-Amino-2-[(2-methylphenyl)amino]benzoic acid116702-64-8
Database identifiers
- CAS
116702-64-8- PubChem CID
- 85565276
- DTXSID
DTXSID101253071
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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