4-[2-(2-bromophenoxy)ethyl]morpholine

• ChemBase ID: 87987
• Molecular Formular: C12H16BrNO2
• Molecular Mass: 286.16494
• Monoisotopic Mass: 285.03644076
• SMILES: O1CCN(CC1)CCOc1ccccc1Br
• Canonical SMILES: Brc1ccccc1OCCN1CCOCC1
• InChI: InChI=1S/C12H16BrNO2/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10H2
• InChIKey: MPHOIECXJQINLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-bromophenoxy)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(2-bromophenoxy)ethyl]morpholine
• Synonyms: 4-[2-(2-bromophenoxy)ethyl]morpholine; 4-[2-(2-Bromophenoxy)ethyl]morpholine 97%

Database IDs

• CAS Number: 101558-72-9
• MDL Number: MFCD01308474
• PubChem SID: 162075027
• PubChem CID: 867213

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1758566
• LogD (pH = 7.4): 2.381112
• Log P: 2.3844712
• Molar Refractivity: 67.2376 cm^3
• Polarizability: 26.326342 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%