1-(aminooxy)-2-methylpropan-2-ol hydrochloride

• ChemBase ID: 798787
• Molecular Formular: C4H12ClNO2
• Molecular Mass: 141.59658
• Monoisotopic Mass: 141.05565631
• SMILES: Cl.C(C(C)(O)C)ON
• Canonical SMILES: NOCC(O)(C)C.Cl
• InChI: InChI=1S/C4H11NO2.ClH/c1-4(2,6)3-7-5;/h6H,3,5H2,1-2H3;1H
• InChIKey: BAUFQQWPODDQLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminooxy)-2-methylpropan-2-ol hydrochloride
• IUPAC Traditional name: 1-(aminooxy)-2-methylpropan-2-ol hydrochloride
• Synonyms: 1-(aminooxy)-2-methylpropan-2-ol hydrochloride

Database IDs

• CAS Number: 90792-82-8

CALCULATED PROPERTIES

• Acid pKa: 14.544214
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3713035
• LogD (pH = 7.4): -0.35568878
• Log P: -0.35548598
• Molar Refractivity: 27.6803 cm^3
• Polarizability: 10.957657 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%