ethyl 2-(morpholin-4-yl)benzoate

• ChemBase ID: 87995
• Molecular Formular: C13H17NO3
• Molecular Mass: 235.27898
• Monoisotopic Mass: 235.12084341
• SMILES: O1CCN(c2ccccc2C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)c1ccccc1N1CCOCC1
• InChI: InChI=1S/C13H17NO3/c1-2-17-13(15)11-5-3-4-6-12(11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3
• InChIKey: UIVDSGDHUXOYDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(morpholin-4-yl)benzoate
• IUPAC Traditional name: ethyl 2-(morpholin-4-yl)benzoate
• Synonyms: ethyl 2-morpholinobenzoate; Ethyl 2-morpholin-4-ylbenzoate 97%

Database IDs

• CAS Number: 192817-79-1
• MDL Number: MFCD06204497
• PubChem SID: 162075035
• PubChem CID: 7148401

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2230742
• LogD (pH = 7.4): 2.2230742
• Log P: 2.2230742
• Molar Refractivity: 66.335 cm^3
• Polarizability: 25.065844 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%