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

• ChemBase ID: 308270
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: O=C(CN(CC)C)C
• Canonical SMILES: CCN(CC(=O)C)C
• InChI: InChI=1S/C6H13NO/c1-4-7(3)5-6(2)8/h4-5H2,1-3H3
• InChIKey: QLOQKEJUTSHYQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1158315-95-7
• MDL Number: MFCD10686596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.8725026
• LogD (pH = 7.4): -0.15426375
• Log P: 0.35458624
• Molar Refractivity: 34.3724 cm^3
• Polarizability: 13.379135 Å^3
• Polar Surface Area: 20.31 Å^2