N'-hydroxyoxolane-3-carboximidamide

• ChemBase ID: 279329
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C(=N\O)(/C1COCC1)\N
• Canonical SMILES: O/N=C(/C1COCC1)\N
• InChI: InChI=1S/C5H10N2O2/c6-5(7-8)4-1-2-9-3-4/h4,8H,1-3H2,(H2,6,7)
• InChIKey: MQHAXHRKPMZBQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxyoxolane-3-carboximidamide
• IUPAC Traditional name: N'-hydroxyoxolane-3-carboximidamide
• Synonyms: N'-hydroxyoxolane-3-carboximidamide

Database IDs

• MDL Number: MFCD16707085
• PubChem SID: 164335239
• PubChem CID: 54595244

CALCULATED PROPERTIES

• Acid pKa: 11.163853
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0296167
• LogD (pH = 7.4): -0.8346047
• Log P: -0.8312973
• Molar Refractivity: 32.4054 cm^3
• Polarizability: 12.526722 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.509

Product Information

• Purity: 95%