2,5-dimethylfuran-3-carbohydrazide

• ChemBase ID: 230507
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1(c(oc(c1)C)C)C(=O)NN
• Canonical SMILES: Cc1oc(cc1C(=O)NN)C
• InChI: InChI=1S/C7H10N2O2/c1-4-3-6(5(2)11-4)7(10)9-8/h3H,8H2,1-2H3,(H,9,10)
• InChIKey: SQBKLMAOOHWVLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylfuran-3-carbohydrazide
• IUPAC Traditional name: 2,5-dimethylfuran-3-carbohydrazide
• Synonyms: 2,5-dimethyl-3-furohydrazide; 2,5-Dimethyl-furan-3-carboxylic acid hydrazide

Database IDs

• CAS Number: 159881-93-3
• MDL Number: MFCD02271424
• PubChem SID: 164286417
• PubChem CID: 2360209

CALCULATED PROPERTIES

• Acid pKa: 14.042345
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.06606067
• LogD (pH = 7.4): 0.06676945
• Log P: 0.066778585
• Molar Refractivity: 42.4333 cm^3
• Polarizability: 15.039428 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): 0.099

Product Information

• Purity: 95%