N-Anthraquinonyl-1-anthranilic acid
Basic information
- CAS
19795-96-1- Standard SMILES
O=C(O)c1ccccc1Nc1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
BXSCARJCEFJTJZ-UHFFFAOYSA-N- Molecular formula
- C21H13NO4
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.0844579
Names & identifiers
- Preferred name
- N-Anthraquinonyl-1-anthranilic acid
- IUPAC
- 2-[(9,10-dioxoanthracen-1-yl)amino]benzoic acid
- English name
- 2-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzoic acid
- Molecular formula
- C21H13NO4
- Molecular weight
- 343.33
Names & synonyms
19795-96-1N-Anthraquinonyl-1-anthranilic acid2-((9,10-Dioxo-9,10-dihydroanthracen-1-yl)amino)benzoic acid2-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzoic acid470TN2GY8F2-((9,10-Dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid2-[(9,10-DIHYDRO-9,10-DIOXO-1-ANTHRYL)AMINO]BENZOIC ACID2-[(9,10-Dihydro-9,10-dioxo-1-anthracenyl)amino]benzoic acid2-[(9,10-dioxo-9,10-dihydro-1-anthracenyl)amino]benzoic acidUNII-470TN2GY8F2-[(9,10-dioxoanthracen-1-yl)amino]benzoic acidEINECS 243-320-8
Show more names
2-[(9,10-Dihydro-9,10-dioxoanthracen-1-yl)amino]benzoic acidBenzoic acid, 2-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
SOLVENT VIOLET 60SCHEMBL8444248CHEMBL1530154DTXSID40173505Benzoic acid, 2-((9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-STK238453AKOS0005929402-(1-anthraquinonylamino)-benzoic acid
Database identifiers
- CAS
19795-96-1- PubChem CID
- 88253
- DTXSID
DTXSID40173505- ChEMBL
CHEMBL1530154- UNII
- 470TN2GY8F
- EC Number
- 243-320-8
- Nikkaji
- J225.281C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Melting point
- 282 °C · 282 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 573.4 · 573.4±50.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- 3.63 · 3.63±0.36(Predicted)
- FDA UNII
- 470 TN2GY8F · 470TN2GY8F
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Related reactions
1 records
Compound notes
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