1-[(2-hydroxyethyl)(methyl)amino]propan-2-one

• ChemBase ID: 308250
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: O=C(CN(CCO)C)C
• Canonical SMILES: OCCN(CC(=O)C)C
• InChI: InChI=1S/C6H13NO2/c1-6(9)5-7(2)3-4-8/h8H,3-5H2,1-2H3
• InChIKey: GRTIEUQWLHMBFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-hydroxyethyl)(methyl)amino]propan-2-one
• IUPAC Traditional name: 1-[(2-hydroxyethyl)(methyl)amino]propan-2-one
• Synonyms: 1-[(2-hydroxyethyl)(methyl)amino]acetone

Database IDs

• CAS Number: 256353-78-3
• MDL Number: MFCD09971291

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3795147
• LogD (pH = 7.4): -0.89889836
• Log P: -0.69232374
• Molar Refractivity: 35.9161 cm^3
• Polarizability: 14.011454 Å^3
• Polar Surface Area: 40.54 Å^2