N'-hydroxybutanimidamide

• ChemBase ID: 799789
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=NO)(CCC)N
• Canonical SMILES: CCCC(=NO)N
• InChI: InChI=1S/C4H10N2O/c1-2-3-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)
• InChIKey: OPENCMFJZQABIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxybutanimidamide
• IUPAC Traditional name: N'-hydroxybutanimidamide
• Synonyms: N'-hydroxybutyrimidamide

CALCULATED PROPERTIES

• Acid pKa: 12.449784
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7271475
• LogD (pH = 7.4): -0.20778766
• Log P: 0.18146263
• Molar Refractivity: 27.6376 cm^3
• Polarizability: 10.6000805 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%