1-(hydrazinecarbonyl)-N-phenylformamide

• ChemBase ID: 40977
• Molecular Formular: C8H9N3O2
• Molecular Mass: 179.17596
• Monoisotopic Mass: 179.06947654
• SMILES: C(=O)(C(=O)Nc1ccccc1)NN
• Canonical SMILES: NNC(=O)C(=O)Nc1ccccc1
• InChI: InChI=1S/C8H9N3O2/c9-11-8(13)7(12)10-6-4-2-1-3-5-6/h1-5H,9H2,(H,10,12)(H,11,13)
• InChIKey: APJTZBUPLMNLOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)-N-phenylformamide
• IUPAC Traditional name: 1-(hydrazinecarbonyl)-N-phenylformamide
• Synonyms: 2-Hydrazino-2-oxo-N-phenylacetamide

Database IDs

• CAS Number: 4740-46-9
• MDL Number: MFCD00173094
• PubChem SID: 162045740
• PubChem CID: 2763736

CALCULATED PROPERTIES

• Acid pKa: 9.8706875
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.06687512
• LogD (pH = 7.4): 0.06582516
• Log P: 0.06713202
• Molar Refractivity: 49.0222 cm^3
• Polarizability: 17.872456 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217 °C; 215-217°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%