N-methyl-6-phenylpyridazin-3-amine

• ChemBase ID: 236500
• Molecular Formular: C11H11N3
• Molecular Mass: 185.22514
• Monoisotopic Mass: 185.09529737
• SMILES: n1nc(NC)ccc1c1ccccc1
• Canonical SMILES: CNc1ccc(nn1)c1ccccc1
• InChI: InChI=1S/C11H11N3/c1-12-11-8-7-10(13-14-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,14)
• InChIKey: MYOAWXCYDZAVBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-phenylpyridazin-3-amine
• IUPAC Traditional name: N-methyl-6-phenylpyridazin-3-amine
• Synonyms: N-methyl-6-phenylpyridazin-3-amine

Database IDs

• MDL Number: MFCD16860072
• PubChem SID: 164292410
• PubChem CID: 20754825

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8667421
• LogD (pH = 7.4): 1.8759955
• Log P: 1.8761147
• Molar Refractivity: 59.0359 cm^3
• Polarizability: 22.528801 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 2.473

Product Information

• Purity: 95%