4-hydrazinylbenzohydrazide

• ChemBase ID: 230501
• Molecular Formular: C7H10N4O
• Molecular Mass: 166.1805
• Monoisotopic Mass: 166.08546096
• SMILES: C(=O)(c1ccc(NN)cc1)NN
• Canonical SMILES: NNc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C7H10N4O/c8-10-6-3-1-5(2-4-6)7(12)11-9/h1-4,10H,8-9H2,(H,11,12)
• InChIKey: PXBYUFFVOPTCLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylbenzohydrazide
• IUPAC Traditional name: 4-hydrazinylbenzohydrazide
• Synonyms: 4-Hydrazino-benzoic acid hydrazide

Database IDs

• CAS Number: 93574-69-7
• MDL Number: MFCD03147252
• PubChem SID: 164286411
• PubChem CID: 2435418

CALCULATED PROPERTIES

• Acid pKa: 15.05981
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.25755626
• LogD (pH = 7.4): -0.083676636
• Log P: -0.080946974
• Molar Refractivity: 49.3272 cm^3
• Polarizability: 17.159637 Å^3
• Polar Surface Area: 93.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.266

Product Information

• Purity: 95%