4-benzyl-2-(bromomethyl)morpholine

• ChemBase ID: 80599
• Molecular Formular: C12H16BrNO
• Molecular Mass: 270.16554
• Monoisotopic Mass: 269.04152614
• SMILES: N1(CC(CBr)OCC1)Cc1ccccc1
• Canonical SMILES: BrCC1OCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H16BrNO/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
• InChIKey: HYDNAFJDFGPLGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-2-(bromomethyl)morpholine
• IUPAC Traditional name: 4-benzyl-2-(bromomethyl)morpholine
• Synonyms: 4-Benzyl-2-(bromomethyl)morpholine

Database IDs

• CAS Number: 306935-00-2
• MDL Number: MFCD02682008
• PubChem SID: 162067719
• PubChem CID: 2776357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6859233
• LogD (pH = 7.4): 2.5675416
• Log P: 2.6058943
• Molar Refractivity: 65.6722 cm^3
• Polarizability: 25.49405 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134-136°C/0.5mm

Safety Information

• Storage Warning: Corrosive