N-(furan-2-ylmethyl)-1-(hydrazinecarbonyl)formamide

• ChemBase ID: 249783
• Molecular Formular: C7H9N3O3
• Molecular Mass: 183.16466
• Monoisotopic Mass: 183.06439116
• SMILES: C(=O)(C(=O)NCc1occc1)NN
• Canonical SMILES: NNC(=O)C(=O)NCc1ccco1
• InChI: InChI=1S/C7H9N3O3/c8-10-7(12)6(11)9-4-5-2-1-3-13-5/h1-3H,4,8H2,(H,9,11)(H,10,12)
• InChIKey: BWEQHSCBXQZUGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-1-(hydrazinecarbonyl)formamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-1-(hydrazinecarbonyl)formamide
• Synonyms: N-(2-furylmethyl)-2-hydrazino-2-oxoacetamide

Database IDs

• CAS Number: 91847-07-3
• MDL Number: MFCD02307759
• PubChem SID: 164305693
• PubChem CID: 330953

CALCULATED PROPERTIES

• Acid pKa: 9.580076
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.1659907
• LogD (pH = 7.4): -1.1682525
• Log P: -1.1657166
• Molar Refractivity: 44.4673 cm^3
• Polarizability: 16.691002 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): -2.132

Product Information

• Purity: 95%