2,4-diaminophenol

• ChemBase ID: 125795
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: Oc1ccc(N)cc1N
• Canonical SMILES: Nc1ccc(c(c1)N)O
• InChI: InChI=1S/C6H8N2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,7-8H2
• InChIKey: XIWMTQIUUWJNRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diaminophenol
• IUPAC Traditional name: amidol
• Synonyms: Amidol

Database IDs

• CAS Number: 95-86-3
• PubChem SID: 162220142
• PubChem CID: 7266
• Chemspider ID: 6996
• Unique Ingredient Identifier: NNB4I01PA7
• Wikipedia Title: Amidol

CALCULATED PROPERTIES

• Acid pKa: 11.202227
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.6046207
• LogD (pH = 7.4): -0.005416478
• Log P: 0.011828586
• Molar Refractivity: 37.4397 cm^3
• Polarizability: 13.214596 Å^3
• Polar Surface Area: 72.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless solid
• Melting Point: 78-80 °C