3,3,5,5-tetramethylmorpholine

• ChemBase ID: 813603
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(COCC(N1)(C)C)(C)C
• Canonical SMILES: CC1(C)COCC(N1)(C)C
• InChI: InChI=1S/C8H17NO/c1-7(2)5-10-6-8(3,4)9-7/h9H,5-6H2,1-4H3
• InChIKey: YCSHCQUVDDBCFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,5,5-tetramethylmorpholine
• IUPAC Traditional name: 3,3,5,5-tetramethylmorpholine
• Synonyms: 3,3,5,5-TETRAMETHYLMORPHOLINE

Database IDs

• CAS Number: 19412-12-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0177145
• LogD (pH = 7.4): -0.49464703
• Log P: 0.98292446
• Molar Refractivity: 41.8819 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%