ethyl 2-[1-(morpholin-4-yl)cyclopentyl]acetate hydrochloride

• ChemBase ID: 275992
• Molecular Formular: C13H24ClNO3
• Molecular Mass: 277.78756
• Monoisotopic Mass: 277.14447131
• SMILES: C1(CC(=O)OCC)(N2CCOCC2)CCCC1.Cl
• Canonical SMILES: CCOC(=O)CC1(CCCC1)N1CCOCC1.Cl
• InChI: InChI=1S/C13H23NO3.ClH/c1-2-17-12(15)11-13(5-3-4-6-13)14-7-9-16-10-8-14;/h2-11H2,1H3;1H
• InChIKey: VQIINUMZRARNJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[1-(morpholin-4-yl)cyclopentyl]acetate hydrochloride
• IUPAC Traditional name: ethyl 2-[1-(morpholin-4-yl)cyclopentyl]acetate hydrochloride
• Synonyms: ethyl 2-[1-(morpholin-4-yl)cyclopentyl]acetate hydrochloride

Database IDs

• MDL Number: MFCD19382000
• PubChem SID: 164331902
• PubChem CID: 54593953

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7595222
• LogD (pH = 7.4): 0.95878905
• Log P: 1.4678377
• Molar Refractivity: 65.6671 cm^3
• Polarizability: 26.208767 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 2.395

Product Information

• Purity: 95%