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

• ChemBase ID: 265574
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(NCC)(CO)(C)C
• Canonical SMILES: CCNC(CO)(C)C
• InChI: InChI=1S/C6H15NO/c1-4-7-6(2,3)5-8/h7-8H,4-5H2,1-3H3
• InChIKey: CPEPOQRXWWGDCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 82922-13-2
• MDL Number: MFCD11053962
• PubChem SID: 164321484
• PubChem CID: 15105174

CALCULATED PROPERTIES

• Acid pKa: 14.795243
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0510297
• LogD (pH = 7.4): -2.395441
• 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%