3-hydrazinylbenzohydrazide

• ChemBase ID: 230503
• Molecular Formular: C7H10N4O
• Molecular Mass: 166.1805
• Monoisotopic Mass: 166.08546096
• SMILES: C(=O)(c1cc(NN)ccc1)NN
• Canonical SMILES: NNc1cccc(c1)C(=O)NN
• InChI: InChI=1S/C7H10N4O/c8-10-6-3-1-2-5(4-6)7(12)11-9/h1-4,10H,8-9H2,(H,11,12)
• InChIKey: RRRMGVNSJNONJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinylbenzohydrazide
• IUPAC Traditional name: 3-hydrazinylbenzohydrazide
• Synonyms: 3-Hydrazino-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD03147254
• PubChem SID: 164286413
• PubChem CID: 2435392

CALCULATED PROPERTIES

• Acid pKa: 14.473774
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.16834506
• LogD (pH = 7.4): -0.08216193
• Log P: -0.080946974
• Molar Refractivity: 49.3272 cm^3
• Polarizability: 17.16037 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%