2-methylfuran-3-carbohydrazide

• ChemBase ID: 27122
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: c1(C(=O)NN)c(occ1)C
• Canonical SMILES: Cc1occc1C(=O)NN
• InChI: InChI=1S/C6H8N2O2/c1-4-5(2-3-10-4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: ZFQJEDANHVDMLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylfuran-3-carbohydrazide
• IUPAC Traditional name: 2-methylfuran-3-carbohydrazide
• Synonyms: 2-Methyl-3-furohydrazide; 2-Methyl-3-furoic hydrazide

Database IDs

• CAS Number: 315672-60-7
• MDL Number: MFCD01330023
• PubChem SID: 160990429
• PubChem CID: 1987739

CALCULATED PROPERTIES

• Acid pKa: 13.923652
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.13348871
• LogD (pH = 7.4): -0.13279174
• Log P: -0.13278274
• Molar Refractivity: 37.2836 cm^3
• Polarizability: 13.287706 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 154 °C; 153-154°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%