1-(3,4-dimethylphenyl)-4-hydrazinylphthalazine

• ChemBase ID: 230472
• Molecular Formular: C16H16N4
• Molecular Mass: 264.32504
• Monoisotopic Mass: 264.13749653
• SMILES: n1c(c2c(c(n1)NN)cccc2)c1cc(c(cc1)C)C
• Canonical SMILES: NNc1nnc(c2c1cccc2)c1ccc(c(c1)C)C
• InChI: InChI=1S/C16H16N4/c1-10-7-8-12(9-11(10)2)15-13-5-3-4-6-14(13)16(18-17)20-19-15/h3-9H,17H2,1-2H3,(H,18,20)
• InChIKey: WLPKNECZNBKQDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dimethylphenyl)-4-hydrazinylphthalazine
• IUPAC Traditional name: 1-(3,4-dimethylphenyl)-4-hydrazinylphthalazine
• Synonyms: [4-(3,4-Dimethyl-phenyl)-phthalazin-1-yl]-hydrazine

Database IDs

• MDL Number: MFCD01912223
• PubChem SID: 164286382
• PubChem CID: 6413098

CALCULATED PROPERTIES

• Acid pKa: 18.331741
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.1573923
• LogD (pH = 7.4): 3.792467
• Log P: 3.8112988
• Molar Refractivity: 85.0814 cm^3
• Polarizability: 33.233723 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%