3-(2-Aminoanilino)-4-hydroxynaphthalene-1,2-dione
Basic information
- CAS
155669-74-2- Standard SMILES
Nc1ccccc1NC1=C(O)c2ccccc2C(=O)C1=O- InChIKey
LSHLYOQAXZBLOT-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 3-(2-Aminoanilino)-4-hydroxynaphthalene-1,2-dione
- IUPAC
- 3-(2-aminoanilino)-4-hydroxynaphthalene-1,2-dione
Names & synonyms
155669-74-21,4-Naphthalenedione, 2-((2-aminophenyl)amino)-3-hydroxy-3-(2-aminoanilino)-4-hydroxynaphthalene-1,2-dione1,4-Naphthalenedione, 2-[(2-aminophenyl)amino]-3-hydroxy-DTXSID409352662-(2-aminoanilino)-3-hydroxy-naphthalene-1,4-dione2-((2-Aminophenyl)amino)-3-hydroxynaphthalene-1,4-dione
Database identifiers
- CAS
155669-74-2- PubChem CID
- 470962
- DTXSID
DTXSID40935266
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 486
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Compound notes
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