4-[2-(2,6-dichlorophenoxy)ethyl]morpholine

• ChemBase ID: 292069
• Molecular Formular: C12H15Cl2NO2
• Molecular Mass: 276.159
• Monoisotopic Mass: 275.04798409
• SMILES: Clc1c(OCCN2CCOCC2)c(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1OCCN1CCOCC1)Cl
• InChI: InChI=1S/C12H15Cl2NO2/c13-10-2-1-3-11(14)12(10)17-9-6-15-4-7-16-8-5-15/h1-3H,4-9H2
• InChIKey: ADRYEGQBUWWICV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,6-dichlorophenoxy)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(2,6-dichlorophenoxy)ethyl]morpholine
• Synonyms: 4-(2-(2,6-Dichlorophenoxy)ethyl)morpholine

Database IDs

• CAS Number: 372183-73-8
• MDL Number: MFCD01880624
• PubChem SID: 180677600
• PubChem CID: 869436

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6753886
• LogD (pH = 7.4): 2.821586
• Log P: 2.823808
• Molar Refractivity: 69.2244 cm^3
• Polarizability: 27.362734 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%