ethyl 3-(morpholin-3-yl)propanoate

• ChemBase ID: 811976
• Molecular Formular: C9H17NO3
• Molecular Mass: 187.23618
• Monoisotopic Mass: 187.12084341
• SMILES: C(=O)(CCC1COCCN1)OCC
• Canonical SMILES: CCOC(=O)CCC1COCCN1
• InChI: InChI=1S/C9H17NO3/c1-2-13-9(11)4-3-8-7-12-6-5-10-8/h8,10H,2-7H2,1H3
• InChIKey: DCRCNUFQCGVRGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(morpholin-3-yl)propanoate
• IUPAC Traditional name: ethyl 3-(morpholin-3-yl)propanoate
• Synonyms: 3-MORPHOLIN-3-YL-PROPIONIC ACID ETHYL ESTER

Database IDs

• CAS Number: 885274-01-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.304262
• LogD (pH = 7.4): -0.57027644
• Log P: 0.15474741
• Molar Refractivity: 48.4948 cm^3
• Polarizability: 19.587364 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%