2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine

• ChemBase ID: 263016
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: N1(CC2OC2)CC(OC(C1)C)C
• Canonical SMILES: CC1CN(CC(O1)C)CC1CO1
• InChI: InChI=1S/C9H17NO2/c1-7-3-10(4-8(2)12-7)5-9-6-11-9/h7-9H,3-6H2,1-2H3
• InChIKey: XSNUGTDPHXUKCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine
• Synonyms: 2,6-dimethyl-4-(oxiran-2-ylmethyl)morpholine

Database IDs

• MDL Number: MFCD08445164
• PubChem SID: 164318926
• PubChem CID: 235358

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1797671
• LogD (pH = 7.4): 0.37941346
• Log P: 0.6460857
• Molar Refractivity: 46.6449 cm^3
• Polarizability: 18.76417 Å^3
• Polar Surface Area: 25.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%