2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide hydrochloride

• ChemBase ID: 49623
• Molecular Formular: C8H19ClN2O2
• Molecular Mass: 210.70166
• Monoisotopic Mass: 210.11350554
• SMILES: C(=O)(NC(CO)(C)C)C(N)(C)C.Cl
• Canonical SMILES: OCC(NC(=O)C(N)(C)C)(C)C.Cl
• InChI: InChI=1S/C8H18N2O2.ClH/c1-7(2,5-11)10-6(12)8(3,4)9;/h11H,5,9H2,1-4H3,(H,10,12);1H
• InChIKey: CJZVKKSCAYOGCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide hydrochloride
• Synonyms: 2-Amino-N-(2-hydroxy-1,1-dimethylethyl)-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562584
• PubChem SID: 162054386
• PubChem CID: 53409052

CALCULATED PROPERTIES

• Acid pKa: 14.097532
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.5055828
• LogD (pH = 7.4): -1.9813471
• Log P: -0.7221623
• Molar Refractivity: 47.2788 cm^3
• Polarizability: 18.831045 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false