3-aminophenazin-2-ol

• ChemBase ID: 16049
• Molecular Formular: C12H9N3O
• Molecular Mass: 211.21936
• Monoisotopic Mass: 211.07456192
• SMILES: n1c2c(nc3c1cccc3)cc(c(c2)N)O
• Canonical SMILES: Nc1cc2nc3ccccc3nc2cc1O
• InChI: InChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2
• InChIKey: AJIRUIWLEVHQMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminophenazin-2-ol
• IUPAC Traditional name: 3-aminophenazin-2-ol
• Synonyms: 3-Amino-phenazin-2-ol

Database IDs

• CAS Number: 4569-77-1
• MDL Number: MFCD00046921
• PubChem SID: 160979356
• PubChem CID: 72902

CALCULATED PROPERTIES

• Acid pKa: 8.648866
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9158976
• LogD (pH = 7.4): 1.9034678
• Log P: 1.9277645
• Molar Refractivity: 59.8379 cm^3
• Polarizability: 25.373075 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false