furan-2-carboximidamide hydrate hydrochloride

• ChemBase ID: 268873
• Molecular Formular: C5H9ClN2O2
• Molecular Mass: 164.59016
• Monoisotopic Mass: 164.03525522
• SMILES: c1(C(=N)N)occc1.Cl.O
• Canonical SMILES: NC(=N)c1ccco1.O.Cl
• InChI: InChI=1S/C5H6N2O.ClH.H2O/c6-5(7)4-2-1-3-8-4;;/h1-3H,(H3,6,7);1H;1H2
• InChIKey: MVJJUHRKODUEEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16622210
• PubChem SID: 164324783
• PubChem CID: 47003424

CALCULATED PROPERTIES

• 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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.179

Product Information

• Purity: 95%