4-benzyl 2-ethyl morpholine-2,4-dicarboxylate

• ChemBase ID: 69928
• Molecular Formular: C15H19NO5
• Molecular Mass: 293.31506
• Monoisotopic Mass: 293.12632271
• SMILES: N1(CC(OCC1)C(=O)OCC)C(=O)OCc1ccccc1
• Canonical SMILES: CCOC(=O)C1OCCN(C1)C(=O)OCc1ccccc1
• InChI: InChI=1S/C15H19NO5/c1-2-19-14(17)13-10-16(8-9-20-13)15(18)21-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
• InChIKey: QEIFMBIQRFZCCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl 2-ethyl morpholine-2,4-dicarboxylate
• IUPAC Traditional name: 4-benzyl 2-ethyl morpholine-2,4-dicarboxylate
• Synonyms: Ethyl N-Cbz-morpholine-2-carboxylate

Database IDs

• CAS Number: 1226776-83-5
• MDL Number: MFCD16495879
• PubChem SID: 162035653
• PubChem CID: 56763848

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7349693
• LogD (pH = 7.4): 1.7349693
• Log P: 1.7349693
• Molar Refractivity: 74.9176 cm^3
• Polarizability: 29.582232 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%