2-(diethylamino)-2-methylpropan-1-ol

• ChemBase ID: 290068
• Molecular Formular: C8H19NO
• Molecular Mass: 145.24256
• Monoisotopic Mass: 145.14666423
• SMILES: CC(C)(N(CC)CC)CO
• Canonical SMILES: CCN(C(CO)(C)C)CC
• InChI: InChI=1S/C8H19NO/c1-5-9(6-2)8(3,4)7-10/h10H,5-7H2,1-4H3
• InChIKey: IJWQSGBLQWYBPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)-2-methylpropan-1-ol
• IUPAC Traditional name: 2-(diethylamino)-2-methylpropan-1-ol
• Synonyms: 2-(Diethylamino)-2-methylpropan-1-ol

Database IDs

• CAS Number: 25688-63-5
• PubChem SID: 180675599
• PubChem CID: 235638

CALCULATED PROPERTIES

• Acid pKa: 14.787916
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5594125
• LogD (pH = 7.4): -1.7520256
• Log P: 0.910835
• Molar Refractivity: 44.8346 cm^3
• Polarizability: 17.615318 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%