1-hydrazinyl-4-phenylphthalazine

• ChemBase ID: 122038
• Molecular Formular: C14H12N4
• Molecular Mass: 236.27188
• Monoisotopic Mass: 236.1061964
• SMILES: n1nc(c2c(c1c1ccccc1)cccc2)NN
• Canonical SMILES: NNc1nnc(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C14H12N4/c15-16-14-12-9-5-4-8-11(12)13(17-18-14)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,18)
• InChIKey: OZXCKWJNGZVAAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinyl-4-phenylphthalazine
• IUPAC Traditional name: 1-hydrazinyl-4-phenylphthalazine
• Synonyms: 1-hydrazinyl-4-phenylphthalazine; (4-Phenyl-phthalazin-1-yl)-hydrazine

Database IDs

• CAS Number: 86427-78-3
• MDL Number: MFCD01472286
• PubChem SID: 162216391
• PubChem CID: 113169

CALCULATED PROPERTIES

• Acid pKa: 18.29098
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1479685
• LogD (pH = 7.4): 2.7665505
• Log P: 2.784456
• Molar Refractivity: 74.999 cm^3
• Polarizability: 29.708458 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%