furan-2-carboximidamide

• ChemBase ID: 308497
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(C(=N)N)occc1
• Canonical SMILES: NC(=N)c1ccco1
• InChI: InChI=1S/C5H6N2O/c6-5(7)4-2-1-3-8-4/h1-3H,(H3,6,7)
• InChIKey: FUVVSNUVSKUJAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-carboximidamide
• IUPAC Traditional name: 2-furoic acid hydrazide
• Synonyms: 2-furancarboximidamide

Database IDs

• CAS Number: 54610-73-0
• MDL Number: MFCD00939264

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7170031
• LogD (pH = 7.4): -0.276444
• Log P: -0.046039067
• Molar Refractivity: 40.1214 cm^3
• Polarizability: 10.911751 Å^3
• Polar Surface Area: 63.01 Å^2

PROPERTIES

Product Information

• Purity: 98%