ethyl 2-(morpholin-3-yl)acetate

• ChemBase ID: 306532
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: C(C(=O)OCC)C1NCCOC1
• Canonical SMILES: CCOC(=O)CC1COCCN1
• InChI: InChI=1S/C8H15NO3/c1-2-12-8(10)5-7-6-11-4-3-9-7/h7,9H,2-6H2,1H3
• InChIKey: JEDBOPXFYYFSLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(morpholin-3-yl)acetate
• IUPAC Traditional name: ethyl 2-(morpholin-3-yl)acetate
• Synonyms: ethyl morpholin-3-ylacetate; MORPHOLIN-3-YL-ACETIC ACID ETHYL ESTER

Database IDs

• CAS Number: 81684-84-6
• MDL Number: MFCD04114888

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.10592
• LogD (pH = 7.4): -0.48269334
• Log P: -0.1339138
• Molar Refractivity: 43.7398 cm^3
• Polarizability: 17.755844 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%