1-(4-Chlorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
[CAS# 64372-52-7]

Identification

• Name: 1-(4-Chlorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
• Synonyms: DEMETHYLCHLOROCITALOPRAM
• Molecular Formula: C₁₉H₁₉ClN₂O
• Molecular Weight: 326.82
• CAS Registry Number: 64372-52-7
• SMILES: CNCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Cl
• InChI: 1S/C19H19ClN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3
• InChIKey: GPKQVLTWAMPYDA-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 454.143°C at 760 mmHg (Cal.)
• Flash point: 228.458°C (Cal.)