ethyl 3-(2,6-dimethylmorpholin-4-yl)propanoate

• ChemBase ID: 34501
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: N1(CCC(=O)OCC)CC(OC(C1)C)C
• Canonical SMILES: CCOC(=O)CCN1CC(C)OC(C1)C
• InChI: InChI=1S/C11H21NO3/c1-4-14-11(13)5-6-12-7-9(2)15-10(3)8-12/h9-10H,4-8H2,1-3H3
• InChIKey: PQHKGZQMAHHJTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(2,6-dimethylmorpholin-4-yl)propanoate
• IUPAC Traditional name: ethyl 3-(2,6-dimethylmorpholin-4-yl)propanoate
• Synonyms: Ethyl 3-(2,6-dimethylmorpholin-4-yl)propanoate; ETHYL β-N-(2,6-DIMETHYLMORPHOLINO)PROPIONATE

Database IDs

• CAS Number: 71172-51-5
• MDL Number: MFCD00023392
• PubChem SID: 160997808
• PubChem CID: 98759

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.81583375
• LogD (pH = 7.4): 0.7498527
• Log P: 1.0225171
• Molar Refractivity: 58.2019 cm^3
• Polarizability: 23.25672 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

DETAILS

MP Biomedicals - 05223009

MP Biomedicals Rare Chemical collection