2-tert-butylmorpholine

• ChemBase ID: 802757
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1C(OCCN1)C(C)(C)C
• Canonical SMILES: CC(C1OCCNC1)(C)C
• InChI: InChI=1S/C8H17NO/c1-8(2,3)7-6-9-4-5-10-7/h7,9H,4-6H2,1-3H3
• InChIKey: DDGWWGFLUBJYAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylmorpholine
• IUPAC Traditional name: 2-tert-butylmorpholine
• Synonyms: 2-TERT-BUTYLMORPHOLINE

Database IDs

• CAS Number: 1097796-99-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6195569
• LogD (pH = 7.4): 0.0057434076
• 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%