4-[2-(3-bromophenoxy)ethyl]morpholine

• ChemBase ID: 88987
• Molecular Formular: C12H16BrNO2
• Molecular Mass: 286.16494
• Monoisotopic Mass: 285.03644076
• SMILES: Brc1cc(ccc1)OCCN1CCOCC1
• Canonical SMILES: Brc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C12H16BrNO2/c13-11-2-1-3-12(10-11)16-9-6-14-4-7-15-8-5-14/h1-3,10H,4-9H2
• InChIKey: YZKFMBAOEVINLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-bromophenoxy)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(3-bromophenoxy)ethyl]morpholine
• Synonyms: 4-[2-(3-Bromophenoxy)ethyl]morpholine 97%; 4-[2-(3-bromophenoxy)ethyl]morpholine

Database IDs

• CAS Number: 435283-95-7
• MDL Number: MFCD03710161
• PubChem SID: 162075873
• PubChem CID: 803716

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2625206
• LogD (pH = 7.4): 2.3219998
• Log P: 2.3844712
• Molar Refractivity: 67.2376 cm^3
• Polarizability: 26.319292 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%