2-(morpholin-4-yl)acetamide

• ChemBase ID: 84252
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: N1(CC(=O)N)CCOCC1
• Canonical SMILES: NC(=O)CN1CCOCC1
• InChI: InChI=1S/C6H12N2O2/c7-6(9)5-8-1-3-10-4-2-8/h1-5H2,(H2,7,9)
• InChIKey: BWRNWWSQZROEOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)acetamide
• IUPAC Traditional name: 2-(morpholin-4-yl)acetamide
• Synonyms: 2-(Morpholin-4-yl)acetamide

Database IDs

• CAS Number: 5625-98-9
• MDL Number: MFCD00465044
• PubChem SID: 162071368
• PubChem CID: 667910

CALCULATED PROPERTIES

• Acid pKa: 16.150282
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7945675
• LogD (pH = 7.4): -1.36669
• Log P: -1.3572903
• Molar Refractivity: 36.9694 cm^3
• Polarizability: 14.520407 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122°C

Safety Information

• Storage Warning: Corrosive