5-methylfuran-2-carbohydrazide

• ChemBase ID: 236122
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: c1(C(=O)NN)oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)C(=O)NN
• InChI: InChI=1S/C6H8N2O2/c1-4-2-3-5(10-4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: GKMDPPXBCLAACF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylfuran-2-carbohydrazide
• IUPAC Traditional name: 5-methylfuran-2-carbohydrazide
• Synonyms: 5-methylfuran-2-carbohydrazide; 5-methyl-2-furohydrazide

Database IDs

• CAS Number: 20842-19-7
• MDL Number: MFCD01365944
• PubChem SID: 164292032
• PubChem CID: 4159250

CALCULATED PROPERTIES

• Acid pKa: 13.855234
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.21331665
• LogD (pH = 7.4): -0.21278849
• Log P: -0.21278162
• Molar Refractivity: 37.1611 cm^3
• Polarizability: 13.290045 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): -0.06

Product Information

• Purity: 95%