1-(hydrazinecarbonyl)-N-(2-methoxyphenyl)formamide

• ChemBase ID: 60460
• Molecular Formular: C9H11N3O3
• Molecular Mass: 209.20194
• Monoisotopic Mass: 209.08004123
• SMILES: C(=O)(C(=O)Nc1c(OC)cccc1)NN
• Canonical SMILES: NNC(=O)C(=O)Nc1ccccc1OC
• InChI: InChI=1S/C9H11N3O3/c1-15-7-5-3-2-4-6(7)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
• InChIKey: DLDJHRZFVLNKPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)-N-(2-methoxyphenyl)formamide
• IUPAC Traditional name: 1-(hydrazinecarbonyl)-N-(2-methoxyphenyl)formamide
• Synonyms: 2-Hydrazino-N-(2-methoxyphenyl)-2-oxoacetamide

Database IDs

• MDL Number: MFCD00966768
• PubChem SID: 162026201
• PubChem CID: 1711886

CALCULATED PROPERTIES

• Acid pKa: 9.5685
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.09081302
• LogD (pH = 7.4): -0.09317553
• Log P: -0.09053925
• Molar Refractivity: 55.4854 cm^3
• Polarizability: 20.420897 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false