2,5-dimethylfuran-3-carbohydrazide hydrochloride

• ChemBase ID: 55030
• Molecular Formular: C7H11ClN2O2
• Molecular Mass: 190.62744
• Monoisotopic Mass: 190.05090528
• SMILES: c1(c(oc(c1)C)C)C(=O)NN.Cl
• Canonical SMILES: Cc1oc(cc1C(=O)NN)C.Cl
• InChI: InChI=1S/C7H10N2O2.ClH/c1-4-3-6(5(2)11-4)7(10)9-8;/h3H,8H2,1-2H3,(H,9,10);1H
• InChIKey: JXEWHLNCFZOTJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylfuran-3-carbohydrazide hydrochloride
• IUPAC Traditional name: 2,5-dimethylfuran-3-carbohydrazide hydrochloride
• Synonyms: 2,5-Dimethyl-3-furohydrazide hydrochloride

Database IDs

• CAS Number: 159881-93-3
• MDL Number: MFCD18252913
• PubChem SID: 162059793
• PubChem CID: 53433609

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false