ethyl 4-benzylmorpholine-2-carboxylate

• ChemBase ID: 287997
• Molecular Formular: C14H19NO3
• Molecular Mass: 249.30556
• Monoisotopic Mass: 249.13649347
• SMILES: O=C(C1CN(Cc2ccccc2)CCO1)OCC
• Canonical SMILES: CCOC(=O)C1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C14H19NO3/c1-2-17-14(16)13-11-15(8-9-18-13)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
• InChIKey: JDVADOGJQJZIOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-benzylmorpholine-2-carboxylate
• IUPAC Traditional name: ethyl 4-benzylmorpholine-2-carboxylate
• Synonyms: Ethyl 4-benzylmorpholine-2-carboxylate

Database IDs

• CAS Number: 135072-32-1
• PubChem SID: 180673528
• PubChem CID: 15651196

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.82165056
• LogD (pH = 7.4): 1.8338659
• Log P: 1.8887837
• Molar Refractivity: 69.0228 cm^3
• Polarizability: 27.312208 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%