1,2-bis(morpholin-4-yl)ethan-1-one

• ChemBase ID: 110729
• Molecular Formular: C10H18N2O3
• Molecular Mass: 214.26152
• Monoisotopic Mass: 214.13174245
• SMILES: O=C(CN1CCOCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CN1CCOCC1
• InChI: InChI=1S/C10H18N2O3/c13-10(12-3-7-15-8-4-12)9-11-1-5-14-6-2-11/h1-9H2
• InChIKey: IZAICEJYASGIFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1440-62-6
• PubChem SID: 162090526
• PubChem CID: 242924

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.493455
• LogD (pH = 7.4): -1.1355857
• Log P: -1.1284386
• Molar Refractivity: 55.8373 cm^3
• Polarizability: 21.857977 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216110

MP Biomedicals Rare Chemical collection