ethyl 3-(morpholin-4-yl)propanoate

• ChemBase ID: 301894
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: CCOC(=O)CCN1CCOCC1
• Canonical SMILES: CCOC(=O)CCN1CCOCC1
• InChI: InChI=1S/C9H17NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h2-8H2,1H3
• InChIKey: WRBIQTVRBWJCQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(morpholin-4-yl)propanoate
• IUPAC Traditional name: ethyl 3-(morpholin-4-yl)propanoate
• Synonyms: 3-(4-Morpholinyl)propionic acid ethyl ester; Ethyl 3-(4-morpholinyl)propionate; 3-(4-吗啉代)丙酸乙酯

Database IDs

• CAS Number: 20120-24-5
• EC Number: 243-526-8
• MDL Number: MFCD00014622
• Beilstein Number: 138843

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0659277
• LogD (pH = 7.4): 0.1047308
• Log P: 0.18936707
• Molar Refractivity: 49.3643 cm^3
• Polarizability: 19.587364 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4550

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%