ethyl 2-(morpholin-4-yl)propanoate

• ChemBase ID: 34503
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: N1(C(C(=O)OCC)C)CCOCC1
• Canonical SMILES: CCOC(=O)C(N1CCOCC1)C
• InChI: InChI=1S/C9H17NO3/c1-3-13-9(11)8(2)10-4-6-12-7-5-10/h8H,3-7H2,1-2H3
• InChIKey: MYHDUJKDRGLQBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(morpholin-4-yl)propanoate
• IUPAC Traditional name: ethyl 2-(morpholin-4-yl)propanoate
• Synonyms: Ethyl 2-morpholin-4-ylpropanoate

Database IDs

• CAS Number: 32418-62-5
• MDL Number: MFCD08753104
• PubChem SID: 160997810
• PubChem CID: 13022013

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.35821232
• LogD (pH = 7.4): 0.5186368
• Log P: 0.5211186
• Molar Refractivity: 49.1588 cm^3
• Polarizability: 19.587364 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

Product Information

• Purity: 98%