3-phenylpyridazin-4-amine

• ChemBase ID: 797673
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1nc(c(cc1)N)c1ccccc1
• Canonical SMILES: Nc1ccnnc1c1ccccc1
• InChI: InChI=1S/C10H9N3/c11-9-6-7-12-13-10(9)8-4-2-1-3-5-8/h1-7H,(H2,11,12)
• InChIKey: HVMZWEXKGOJZAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylpyridazin-4-amine
• IUPAC Traditional name: 3-phenylpyridazin-4-amine
• Synonyms: 3-Phenylpyridazin-4-aMine

Database IDs

• CAS Number: 85156-25-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.071223
• LogD (pH = 7.4): 0.94208014
• Log P: 0.97995317
• Molar Refractivity: 53.229 cm^3
• Polarizability: 20.680864 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%