[2-(4-bromophenoxy)ethyl]dimethylamine

• ChemBase ID: 92571
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: O(c1ccc(cc1)Br)CCN(C)C
• Canonical SMILES: CN(CCOc1ccc(cc1)Br)C
• InChI: InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3
• InChIKey: MOVOYJFCKMYLHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-bromophenoxy)ethyl]dimethylamine
• IUPAC Traditional name: [2-(4-bromophenoxy)ethyl]dimethylamine
• Synonyms: 2-(4-bromophenoxy)-N,N-dimethylethylamine; 1-Bromo-4-[2-(dimethylamino)ethoxy]benzene; 4-Bromophenyl 2-(Dimethylamino)ethyl Ether; N,N-Dimethyl-2-(p-bromophenoxy)ethylamine; 4-[2-(Dimethylamino)ethoxy]bromobenzene; 2-(4-Bromophenoxy)-N,N-dimethylethylamine 97%; 2-(4-Bromophenoxy)-N,N-dimethylethylamine; [2-(4-bromophenoxy)ethyl]dimethylamine; 2-(4-溴苯氧基)-N,N-二甲基乙基胺

Database IDs

• CAS Number: 2474-07-9
• MDL Number: MFCD00274471
• PubChem SID: 162079269
• PubChem CID: 213877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.4645655
• LogD (pH = 7.4): 1.221243
• Log P: 2.6029718
• Molar Refractivity: 58.1631 cm^3
• Polarizability: 22.633116 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Yellow Oil
• Hydrophobicity(logP): 3.163

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-23-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501

Product Information

• Purity: 95%; 97%

DETAILS

Toronto Research Chemicals - B686380

An intermediate for the synthesis of Tamoxifen.

REFERENCES

• Ruenitz, P.C., et al.: Biochem. Pharmacol., 34, 2807 (1985)
• Gilbert, J., et al.: J. Med. Chem., 40, 1104 (1985)
• Lashley, M.R., et al.: Bioorg. Med. Chem., 10, 4075 (1985)