2-(aminooxy)ethan-1-ol

• ChemBase ID: 294781
• Molecular Formular: C2H7NO2
• Molecular Mass: 77.08248
• Monoisotopic Mass: 77.04767847
• SMILES: NOCCO
• Canonical SMILES: NOCCO
• InChI: InChI=1S/C2H7NO2/c3-5-2-1-4/h4H,1-3H2
• InChIKey: WWWTWPXKLJTKPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminooxy)ethan-1-ol
• IUPAC Traditional name: 2-(aminooxy)ethanol
• Synonyms: 2-(Aminooxy)ethanol

Database IDs

• CAS Number: 3279-95-6
• PubChem SID: 180680312
• PubChem CID: 3014186

CALCULATED PROPERTIES

• Acid pKa: 15.053053
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0686818
• LogD (pH = 7.4): -1.0528435
• Log P: -1.0526377
• Molar Refractivity: 18.6233 cm^3
• Polarizability: 7.3100114 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%