(3S)-3-(furan-3-yl)morpholine

• ChemBase ID: 797644
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: [C@@H]1(COCCN1)c1cocc1
• Canonical SMILES: C1CN[C@H](CO1)c1cocc1
• InChI: InChI=1S/C8H11NO2/c1-3-10-5-7(1)8-6-11-4-2-9-8/h1,3,5,8-9H,2,4,6H2/t8-/m1/s1
• InChIKey: QRTFXNSVWFBXRX-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(furan-3-yl)morpholine
• IUPAC Traditional name: (3S)-3-(furan-3-yl)morpholine
• Synonyms: (S)-3-(Furan-3-yl)Morpholine

Database IDs

• CAS Number: 1213183-44-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.119486
• LogD (pH = 7.4): 0.32545146
• Log P: 0.51310676
• Molar Refractivity: 40.5641 cm^3
• Polarizability: 16.053087 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%