2-methyl-3-(morpholin-4-yl)propan-1-ol

• ChemBase ID: 312473
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(CC(CO)C)CCOCC1
• Canonical SMILES: OCC(CN1CCOCC1)C
• InChI: InChI=1S/C8H17NO2/c1-8(7-10)6-9-2-4-11-5-3-9/h8,10H,2-7H2,1H3
• InChIKey: YZQLKGGGHTXJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(morpholin-4-yl)propan-1-ol
• IUPAC Traditional name: 2-methyl-3-(morpholin-4-yl)propan-1-ol
• Synonyms: 2-methyl-3-(4-morpholinyl)-1-propanol

Database IDs

• CAS Number: 35806-19-0
• MDL Number: MFCD08691940

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.336769
• LogD (pH = 7.4): -0.63865614
• Log P: -0.1791497
• Molar Refractivity: 44.6367 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2