N-[2-(hydrazinecarbonyl)phenyl]acetamide

• ChemBase ID: 35099
• Molecular Formular: C9H11N3O2
• Molecular Mass: 193.20254
• Monoisotopic Mass: 193.08512661
• SMILES: c1(C(=O)NN)c(NC(=O)C)cccc1
• Canonical SMILES: NNC(=O)c1ccccc1NC(=O)C
• InChI: InChI=1S/C9H11N3O2/c1-6(13)11-8-5-3-2-4-7(8)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
• InChIKey: QECAIFFXHWSKAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(hydrazinecarbonyl)phenyl]acetamide
• IUPAC Traditional name: N-[2-(hydrazinecarbonyl)phenyl]acetamide
• Synonyms: N-[2-(Hydrazinocarbonyl)phenyl]acetamide

Database IDs

• CAS Number: 6635-75-2
• MDL Number: MFCD00089146
• PubChem SID: 160998406
• PubChem CID: 242951

CALCULATED PROPERTIES

• Acid pKa: 12.713175
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.41472313
• LogD (pH = 7.4): 0.41511378
• Log P: 0.41512078
• Molar Refractivity: 54.4835 cm^3
• Polarizability: 19.494148 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false