3-tert-butylmorpholine

• ChemBase ID: 801632
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(COCCN1)C(C)(C)C
• Canonical SMILES: CC(C1NCCOC1)(C)C
• InChI: InChI=1S/C8H17NO/c1-8(2,3)7-6-10-5-4-9-7/h7,9H,4-6H2,1-3H3
• InChIKey: YGBCOMFKPPSDAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-tert-butylmorpholine
• IUPAC Traditional name: 3-tert-butylmorpholine
• Synonyms: 3-TERT-BUTYLMORPHOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6729503
• LogD (pH = 7.4): -0.089772865
• Log P: 1.2706922
• Molar Refractivity: 41.5804 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%