ethyl 2-(morpholin-4-yl)acetate

• ChemBase ID: 58980
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: N1(CC(=O)OCC)CCOCC1
• Canonical SMILES: CCOC(=O)CN1CCOCC1
• InChI: InChI=1S/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3
• InChIKey: SITMDWHJQROIPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(morpholin-4-yl)acetate
• IUPAC Traditional name: ethyl 2-(morpholin-4-yl)acetate
• Synonyms: Ethyl morpholin-4-ylacetate

Database IDs

• CAS Number: 3235-82-3
• MDL Number: MFCD00023375
• PubChem SID: 162063743
• PubChem CID: 2734105

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.13631706
• LogD (pH = 7.4): -0.04888243
• Log P: -0.047645666
• Molar Refractivity: 44.6649 cm^3
• Polarizability: 17.755844 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false