4-(prop-2-yn-1-yl)morpholine

• ChemBase ID: 270945
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: C(#C)CN1CCOCC1
• Canonical SMILES: C#CCN1CCOCC1
• InChI: InChI=1S/C7H11NO/c1-2-3-8-4-6-9-7-5-8/h1H,3-7H2
• InChIKey: OKDZHAQIKCVKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-yn-1-yl)morpholine
• IUPAC Traditional name: 4-(prop-2-yn-1-yl)morpholine
• Synonyms: 4-(prop-2-yn-1-yl)morpholine

Database IDs

• MDL Number: MFCD00510919
• PubChem SID: 164326855
• PubChem CID: 412941

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): -0.95385754
• LogD (pH = 7.4): 0.13252749
• Log P: 0.19975206
• Molar Refractivity: 36.6428 cm^3
• Polarizability: 14.014072 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.767

Product Information

• Purity: 95%