1-(hydrazinecarbonyl)-N-(4-methoxyphenyl)formamide

• ChemBase ID: 33311
• Molecular Formular: C9H11N3O3
• Molecular Mass: 209.20194
• Monoisotopic Mass: 209.08004123
• SMILES: C(=O)(C(=O)Nc1ccc(cc1)OC)NN
• Canonical SMILES: NNC(=O)C(=O)Nc1ccc(cc1)OC
• InChI: InChI=1S/C9H11N3O3/c1-15-7-4-2-6(3-5-7)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
• InChIKey: ICHSLEPUZVJIRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)-N-(4-methoxyphenyl)formamide
• IUPAC Traditional name: 1-(hydrazinecarbonyl)-N-(4-methoxyphenyl)formamide
• Synonyms: 2-Hydrazino-N-(4-methoxyphenyl)-2-oxoacetamide

Database IDs

• CAS Number: 20580-47-6
• MDL Number: MFCD00173090
• PubChem SID: 160996618
• PubChem CID: 1713160

CALCULATED PROPERTIES

• Acid pKa: 9.621372
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.09080888
• LogD (pH = 7.4): -0.09284804
• Log P: -0.09053925
• Molar Refractivity: 55.4854 cm^3
• Polarizability: 20.418795 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%