2,4-diaminophenol sulfate

• ChemBase ID: 795863
• Molecular Formular: C6H8N2O5S--
• Molecular Mass: 220.20312
• Monoisotopic Mass: 220.01539237
• SMILES: S(=O)(=O)([O-])[O-].c1(c(cc(cc1)N)N)O
• Canonical SMILES: [O-]S(=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)/p-2
• InChIKey: JKMWKYDJCPSJSI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 74283-34-4

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: 98%