3-Amino-2-(3,4-dimethylanilino)benzoic acid
Basic information
- CAS
116702-66-0- Standard SMILES
Cc1ccc(Nc2c(N)cccc2C(=O)O)cc1C- InChIKey
XOOXKIYRWWXRFF-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 3-Amino-2-(3,4-dimethylanilino)benzoic acid
- IUPAC
- 3-amino-2-(3,4-dimethylanilino)benzoic acid
Names & synonyms
DTXSID4012311893-Amino-2-(3,4-dimethylanilino)benzoic acid3-Amino-2-[(3,4-dimethylphenyl)amino]benzoic acid116702-66-0
Database identifiers
- CAS
116702-66-0- PubChem CID
- 85565277
- DTXSID
DTXSID401231189
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
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Compound notes
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