2-(methylamino)-1-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 255815
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: N1(C(=O)CNC)CCOCC1
• Canonical SMILES: CNCC(=O)N1CCOCC1
• InChI: InChI=1S/C7H14N2O2/c1-8-6-7(10)9-2-4-11-5-3-9/h8H,2-6H2,1H3
• InChIKey: BHUKCEYZKFAGEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-1-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 2-(methylamino)-1-(morpholin-4-yl)ethanone
• Synonyms: 2-(methylamino)-1-(morpholin-4-yl)ethan-1-one

Database IDs

• MDL Number: MFCD06358653
• PubChem SID: 164311725
• PubChem CID: 2517683

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2688384
• LogD (pH = 7.4): -2.7173178
• Log P: -1.2929862
• Molar Refractivity: 41.4681 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 199°C
• Hydrophobicity(logP): -0.714

Product Information

• Purity: 95%