5-(morpholin-4-yl)pent-3-yn-1-ol

• ChemBase ID: 310924
• Molecular Formular: C9H15NO2
• Molecular Mass: 169.2209
• Monoisotopic Mass: 169.11027873
• SMILES: C(#CCCO)CN1CCOCC1
• Canonical SMILES: OCCC#CCN1CCOCC1
• InChI: InChI=1S/C9H15NO2/c11-7-3-1-2-4-10-5-8-12-9-6-10/h11H,3-9H2
• InChIKey: UXIBWUJUNQVDOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)pent-3-yn-1-ol
• IUPAC Traditional name: 5-(morpholin-4-yl)pent-3-yn-1-ol
• Synonyms: 5-(4-morpholinyl)-3-pentyn-1-ol

Database IDs

• CAS Number: 550302-86-8
• MDL Number: MFCD02012809

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.70008606
• LogD (pH = 7.4): 0.019857276
• Log P: 0.044072203
• Molar Refractivity: 48.6733 cm^3
• Polarizability: 18.323471 Å^3
• Polar Surface Area: 32.7 Å^2