benzyl 2-(morpholin-3-yl)acetate

• ChemBase ID: 811972
• Molecular Formular: C13H17NO3
• Molecular Mass: 235.27898
• Monoisotopic Mass: 235.12084341
• SMILES: C(C(=O)OCc1ccccc1)C1COCCN1
• Canonical SMILES: O=C(CC1COCCN1)OCc1ccccc1
• InChI: InChI=1S/C13H17NO3/c15-13(8-12-10-16-7-6-14-12)17-9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
• InChIKey: KQXPHVYRJYTGTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-(morpholin-3-yl)acetate
• IUPAC Traditional name: benzyl 2-(morpholin-3-yl)acetate
• Synonyms: MORPHOLIN-3-YL-ACETIC ACID BENZYL ESTER

Database IDs

• CAS Number: 885273-91-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7382468
• LogD (pH = 7.4): 0.88497657
• Log P: 1.2337514
• Molar Refractivity: 63.6038 cm^3
• Polarizability: 25.470499 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%