Basic information
- CAS
4800-34-4- Standard SMILES
O=C(O)c1ccccc1Nc1ccc2ccccc2c1- InChIKey
VKDURIRMJONJMV-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- Anthranilic acid, N-2-naphthyl-
- IUPAC
- 2-(naphthalen-2-ylamino)benzoic acid
- English name
- 2-(2-Naphtylamino)benzoic acid
- Molecular formula
- C17H13NO2
- Molecular weight
- 263.29
Names & synonyms
N-2-Naphthylanthranilic acidAnthranilic acid, N-2-naphthyl-Anthranilic acid, N-(2-naphthyl)-QC2JBA8UJTNSC 26782BRN 3333917NSC-26782DTXSID501973933-14-00-00908 (Beilstein Handbook Reference)2-(2-NAPHTHALENYLAMINO)BENZOIC ACIDRefChem:199603DTXCID60119884
Show more names
2-(2-Naphthylamino)benzoic acid4800-34-4Benzoic acid, 2-(2-naphthalenylamino)-2-[(naphthalen-2-yl)amino]benzoic acidUNII-QC2JBA8UJTOprea1_115523N-(2-Naphthyl)anthranilic acid2-(2-Naphtylamino)benzoic acid
Database identifiers
- CAS
4800-34-4- PubChem CID
- 95272
- DTXSID
DTXSID50197393- UNII
- QC2JBA8UJT
- Nikkaji
- J55.257G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 231 °C · 231 °C
- Boiling point
- 406.53 °C · 406.53°C (rough estimate)
- Density
- 1.1138 · 1.1138 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- pka
- 3.68 · 3.68±0.36(Predicted)
- FDA UNII
- 2 JBA8UJT · QC2JBA8UJT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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