4-(2-bromoethyl)morpholine

• ChemBase ID: 68992
• Molecular Formular: C6H12BrNO
• Molecular Mass: 194.06958
• Monoisotopic Mass: 193.01022601
• SMILES: N1(CCOCC1)CCBr
• Canonical SMILES: BrCCN1CCOCC1
• InChI: InChI=1S/C6H12BrNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2
• InChIKey: CVMXEDZZSWLXPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromoethyl)morpholine
• IUPAC Traditional name: 4-(2-bromoethyl)morpholine
• Synonyms: 4-(2-Bromoethyl)morpholine; 2-(4-Morpholine)ethylbromide

Database IDs

• CAS Number: 89583-07-3
• MDL Number: MFCD07776157
• PubChem SID: 162034722
• PubChem CID: 1502101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.39369467
• LogD (pH = 7.4): 0.8125657
• Log P: 0.82165414
• Molar Refractivity: 41.3894 cm^3
• Polarizability: 16.058933 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%