2-[methyl(propan-2-yl)amino]ethan-1-ol

• ChemBase ID: 308225
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(C(C)C)(CCO)C
• Canonical SMILES: OCCN(C(C)C)C
• InChI: InChI=1S/C6H15NO/c1-6(2)7(3)4-5-8/h6,8H,4-5H2,1-3H3
• InChIKey: OFRNAQFDQREXMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl(propan-2-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[isopropyl(methyl)amino]ethanol
• Synonyms: 2-[isopropyl(methyl)amino]ethanol

Database IDs

• CAS Number: 2893-49-4
• MDL Number: MFCD00045977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1225986
• LogD (pH = 7.4): -1.872716
• Log P: 0.27345043
• Molar Refractivity: 35.4478 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 23.47 Å^2