3-benzylmorpholine

• ChemBase ID: 799391
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C1(COCCN1)Cc1ccccc1
• Canonical SMILES: O1CCNC(C1)Cc1ccccc1
• InChI: InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2
• InChIKey: LSXCLMMIDIVSFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzylmorpholine
• IUPAC Traditional name: 3-benzylmorpholine
• Synonyms: 3-benzylmorpholine

Database IDs

• CAS Number: 7684-27-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0074255
• LogD (pH = 7.4): 0.7092888
• Log P: 1.6615225
• Molar Refractivity: 52.8057 cm^3
• Polarizability: 20.961266 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%