N-[(hydrazinecarbonyl)methyl]benzamide

• ChemBase ID: 71952
• Molecular Formular: C9H11N3O2
• Molecular Mass: 193.20254
• Monoisotopic Mass: 193.08512661
• SMILES: N(CC(=O)NN)C(=O)c1ccccc1
• Canonical SMILES: NNC(=O)CNC(=O)c1ccccc1
• InChI: InChI=1S/C9H11N3O2/c10-12-8(13)6-11-9(14)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,14)(H,12,13)
• InChIKey: GFEYJORMLBEOOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(hydrazinecarbonyl)methyl]benzamide
• IUPAC Traditional name: N-[(hydrazinecarbonyl)methyl]benzamide
• Synonyms: N-(2-Hydrazino-2-oxoethyl)benzamide

Database IDs

• PubChem SID: 162104200
• PubChem CID: 349284

CALCULATED PROPERTIES

• Acid pKa: 12.280008
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.57882226
• LogD (pH = 7.4): -0.57789
• Log P: -0.5778728
• Molar Refractivity: 52.424 cm^3
• Polarizability: 19.506235 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT