ethyl morpholine-4-carboxylate

• ChemBase ID: 241151
• Molecular Formular: C7H13NO3
• Molecular Mass: 159.18302
• Monoisotopic Mass: 159.08954328
• SMILES: C(=O)(N1CCOCC1)OCC
• Canonical SMILES: CCOC(=O)N1CCOCC1
• InChI: InChI=1S/C7H13NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h2-6H2,1H3
• InChIKey: RTBBWCJKGBZVGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl morpholine-4-carboxylate
• IUPAC Traditional name: ethyl morpholine-4-carboxylate
• Synonyms: ethyl morpholine-4-carboxylate

Database IDs

• MDL Number: MFCD00023349
• PubChem SID: 164297061
• PubChem CID: 230138

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.17466244
• LogD (pH = 7.4): 0.17466244
• Log P: 0.17466244
• Molar Refractivity: 39.706 cm^3
• Polarizability: 15.55926 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.871

Product Information

• Purity: 95%