2-(2-methylpropyl)morpholine

• ChemBase ID: 307629
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CC(OCC1)CC(C)C
• Canonical SMILES: CC(CC1OCCNC1)C
• InChI: InChI=1S/C8H17NO/c1-7(2)5-8-6-9-3-4-10-8/h7-9H,3-6H2,1-2H3
• InChIKey: HNDXEVBVCNVVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)morpholine
• IUPAC Traditional name: 2-(2-methylpropyl)morpholine
• Synonyms: 2-isobutylmorpholine

Database IDs

• CAS Number: 927801-14-7
• MDL Number: MFCD09055008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6150719
• LogD (pH = 7.4): 0.02072471
• Log P: 1.2593063
• Molar Refractivity: 41.8603 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2