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

• ChemBase ID: 294523
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C[C@H]1O[C@H](C)CNC1
• 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-/m1/s1
• InChIKey: HNVIQLPOGUDBSU-PHDIDXHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6R)-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6R)-2,6-dimethylmorpholine
• Synonyms: (2R,6R)-2,6-Dimethylmorpholine; trans-2,6-Dimethylmorpholine

Database IDs

• CAS Number: 6485-45-6; 171753-74-5
• MDL Number: MFCD18250270; MFCD09953181
• PubChem SID: 180680054
• PubChem CID: 11137133

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: 95+%