2-Hydroxy-4-(methylamino)benzoic acid
Basic information
- CAS
6952-12-1- Standard SMILES
CNc1ccc(C(=O)O)c(O)c1- InChIKey
JKWLKTPTNVXUFK-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 2-Hydroxy-4-(methylamino)benzoic acid
- IUPAC
- 2-hydroxy-4-(methylamino)benzoic acid
- English name
- 2-Hydroxy-4-(methylamino)benzoic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
2-hydroxy-4-(methylamino)benzoic acid6952-12-14-Methylaminosalicylic acid2-Hydroxy-4-(methylamino)benzoicacidSCHEMBL730081CHEMBL5175182DTXSID50289702NSC63019NSC-63019MB10618DB-049811NSC 63019
Show more names
4-(Methylamino)salicylic acidN-methyl-4-aminosalicylic acidBenzoic acid,2-hydroxy-4-(methylamino)-
Database identifiers
- CAS
6952-12-1- PubChem CID
- 247753
- DTXSID
DTXSID50289702- ChEMBL
CHEMBL5175182
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 126 · 126-127℃ (benzene )
- Boiling point
- 368 · 368.0±37.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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