1-(4-Chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
[CAS# 64169-57-9]

Identification

• Name: 1-(4-Chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
• Synonyms: Chlorocitalopram
• Molecular Formula: C₂₀H₂₁ClN₂O
• Molecular Weight: 340.85
• CAS Registry Number: 64169-57-9
• SMILES: CN(C)CCCC2(OCc1cc(ccc12)C#N)c3ccc(Cl)cc3
• InChI: 1S/C20H21ClN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
• InChIKey: HYIJPACNNYCMRP-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 452.403°C at 760 mmHg (Cal.)
• Flash point: 227.405°C (Cal.)