1-(ethylamino)-2-methylpropan-2-ol

• ChemBase ID: 274603
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(O)(CNCC)(C)C
• Canonical SMILES: CCNCC(O)(C)C
• InChI: InChI=1S/C6H15NO/c1-4-7-5-6(2,3)8/h7-8H,4-5H2,1-3H3
• InChIKey: XJUNFOQRHFYPKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00021808
• PubChem SID: 164330513
• PubChem CID: 415913

CALCULATED PROPERTIES

• Acid pKa: 15.03176
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0541503
• LogD (pH = 7.4): -2.4535367
• Log P: 0.17097916
• Molar Refractivity: 34.7913 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.246

Product Information

• Purity: 95%