2,4-diaminophenol; sulfuric acid

• ChemBase ID: 294131
• Molecular Formular: C6H10N2O5S
• Molecular Mass: 222.219
• Monoisotopic Mass: 222.03104243
• SMILES: OS(=O)(=O)O.Nc1cc(N)c(O)cc1
• Canonical SMILES: OS(=O)(=O)O.Nc1ccc(c(c1)N)O
• InChI: InChI=1S/C6H8N2O.H2O4S/c7-4-1-2-6(9)5(8)3-4;1-5(2,3)4/h1-3,9H,7-8H2;(H2,1,2,3,4)
• InChIKey: JKMWKYDJCPSJSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diaminophenol; sulfuric acid
• IUPAC Traditional name: amidol; sulfuric acid
• Synonyms: 2,4-Diaminophenol sulfate

Database IDs

• CAS Number: 74283-34-4
• MDL Number: MFCD01321156
• PubChem SID: 180679662
• PubChem CID: 17922877

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

Product Information

• Purity: 95+%