3,5-dimethylmorpholine

• ChemBase ID: 278776
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: N1C(COCC1C)C
• Canonical SMILES: CC1COCC(N1)C
• InChI: InChI=1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3
• InChIKey: MDKHWJFKHDRFFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylmorpholine
• IUPAC Traditional name: 3,5-dimethylmorpholine
• Synonyms: 3,5-dimethylmorpholine

Database IDs

• CAS Number: 123-57-9
• MDL Number: MFCD00065032
• PubChem SID: 164334686
• PubChem CID: 8862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4871504
• LogD (pH = 7.4): -0.8753079
• Log P: 0.42177114
• Molar Refractivity: 32.6055 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.63

Product Information

• Purity: 95%; 98%