2-chloro-1-(2-ethylmorpholin-4-yl)ethan-1-one

• ChemBase ID: 260590
• Molecular Formular: C8H14ClNO2
• Molecular Mass: 191.65526
• Monoisotopic Mass: 191.07130637
• SMILES: N1(C(=O)CCl)CC(OCC1)CC
• Canonical SMILES: CCC1OCCN(C1)C(=O)CCl
• InChI: InChI=1S/C8H14ClNO2/c1-2-7-6-10(3-4-12-7)8(11)5-9/h7H,2-6H2,1H3
• InChIKey: QRXDPRNAEJRKPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-(2-ethylmorpholin-4-yl)ethan-1-one
• IUPAC Traditional name: 2-chloro-1-(2-ethylmorpholin-4-yl)ethanone
• Synonyms: 2-chloro-1-(2-ethylmorpholin-4-yl)ethan-1-one

Database IDs

• MDL Number: MFCD12139232
• PubChem SID: 164316500
• PubChem CID: 43562647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6750046
• LogD (pH = 7.4): 0.6750046
• Log P: 0.6750046
• Molar Refractivity: 47.0298 cm^3
• Polarizability: 18.534655 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.848

Product Information

• Purity: 95%