4-hydrazinyl-2-phenylquinazoline

• ChemBase ID: 58637
• Molecular Formular: C14H12N4
• Molecular Mass: 236.27188
• Monoisotopic Mass: 236.1061964
• SMILES: c1ccc2c(c1)c(nc(n2)c1ccccc1)NN
• Canonical SMILES: NNc1nc(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C14H12N4/c15-18-14-11-8-4-5-9-12(11)16-13(17-14)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,17,18)
• InChIKey: WBJUWGCULCOZSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2-phenylquinazoline
• IUPAC Traditional name: 4-hydrazinyl-2-phenylquinazoline
• Synonyms: 4-Hydrazino-2-phenylquinazoline

Database IDs

• MDL Number: MFCD07762995
• PubChem SID: 162063400
• PubChem CID: 13168552

CALCULATED PROPERTIES

• Acid pKa: 19.456299
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2891653
• LogD (pH = 7.4): 3.74083
• Log P: 3.7511404
• Molar Refractivity: 84.2318 cm^3
• Polarizability: 28.981121 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false