2,2-dimethylmorpholine

• ChemBase ID: 57190
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1CNCC(O1)(C)C
• Canonical SMILES: CC1(C)CNCCO1
• InChI: InChI=1S/C6H13NO/c1-6(2)5-7-3-4-8-6/h7H,3-5H2,1-2H3
• InChIKey: UFLFSJVTFSZTKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylmorpholine
• IUPAC Traditional name: 2,2-dimethylmorpholine
• Synonyms: 2,2-Dimethylmorpholine

Database IDs

• CAS Number: 147688-58-2
• MDL Number: MFCD09701959
• PubChem SID: 162061953
• PubChem CID: 18959674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6631846
• LogD (pH = 7.4): -1.0848658
• Log P: 0.28577277
• Molar Refractivity: 32.8249 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%