6-phenylpyridazin-3-amine

• ChemBase ID: 77536
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1nc(ccc1c1ccccc1)N
• Canonical SMILES: Nc1ccc(nn1)c1ccccc1
• InChI: InChI=1S/C10H9N3/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
• InChIKey: YTDZFWNQRRMELI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylpyridazin-3-amine
• IUPAC Traditional name: 6-phenylpyridazin-3-amine
• Synonyms: 6-Phenylpyridazin-3-amine; 3-Amino-6-phenylpyridazine; 6-phenylpyridazin-3-amine

Database IDs

• CAS Number: 14966-91-7
• MDL Number: MFCD00234636
• PubChem SID: 162042408
• PubChem CID: 11958915

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5607127
• LogD (pH = 7.4): 1.5742356
• Log P: 1.5744107
• Molar Refractivity: 53.5425 cm^3
• Polarizability: 20.682196 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.639

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%