rel-(2R,6S)-2,6-dimethylmorpholine

• ChemBase ID: 796613
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1[C@H](O[C@H](CN1)C)C
• Canonical SMILES: C[C@@H]1CNC[C@@H](O1)C
• InChI: InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
• InChIKey: HNVIQLPOGUDBSU-OLQVQODUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rel-(2R,6S)-2,6-dimethylmorpholine
• IUPAC Traditional name: rel-(2R,6S)-2,6-dimethylmorpholine
• Synonyms: Cis-2,6-DiMethylMorpholine

Database IDs

• CAS Number: 6485-55-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5269608
• LogD (pH = 7.4): -0.9484328
• 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

Product Information

• Purity: 98%