4-(2,2-diethoxyethyl)morpholine

• ChemBase ID: 273573
• Molecular Formular: C10H21NO3
• Molecular Mass: 203.27864
• Monoisotopic Mass: 203.15214354
• SMILES: N1(CC(OCC)OCC)CCOCC1
• Canonical SMILES: CCOC(CN1CCOCC1)OCC
• InChI: InChI=1S/C10H21NO3/c1-3-13-10(14-4-2)9-11-5-7-12-8-6-11/h10H,3-9H2,1-2H3
• InChIKey: SZCDHXBTGQLOBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,2-diethoxyethyl)morpholine
• IUPAC Traditional name: 4-(2,2-diethoxyethyl)morpholine
• Synonyms: 4-(2,2-diethoxyethyl)morpholine

Database IDs

• CAS Number: 3616-59-9
• MDL Number: MFCD00034483
• PubChem SID: 164329483
• PubChem CID: 248492

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.18304633
• LogD (pH = 7.4): 0.85782903
• Log P: 0.91721195
• Molar Refractivity: 55.3844 cm^3
• Polarizability: 22.034855 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.801

Product Information

• Purity: 95%; 95+%