4-(morpholine-3-carbonyl)morpholine

• ChemBase ID: 62787
• Molecular Formular: C9H16N2O3
• Molecular Mass: 200.23494
• Monoisotopic Mass: 200.11609238
• SMILES: C(=O)(N1CCOCC1)C1NCCOC1
• Canonical SMILES: O=C(N1CCOCC1)C1COCCN1
• InChI: InChI=1S/C9H16N2O3/c12-9(8-7-14-4-1-10-8)11-2-5-13-6-3-11/h8,10H,1-7H2
• InChIKey: KWOZDYVBAPLQCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholine-3-carbonyl)morpholine
• IUPAC Traditional name: 4-(morpholine-3-carbonyl)morpholine
• Synonyms: Morpholin-3-yl-morpholin-4-yl-methanone

Database IDs

• MDL Number: MFCD18381644
• PubChem SID: 162028526
• PubChem CID: 65519163

CALCULATED PROPERTIES

• Acid pKa: 18.052181
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.844823
• LogD (pH = 7.4): -1.4572061
• Log P: -1.2995303
• Molar Refractivity: 50.2879 cm^3
• Polarizability: 20.029446 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false