5-[4-(4-Chlorophenyl)-4-Hydroxy-1-Piperidinyl]-2,2-Diphenylpentanenitrile
[CAS# 193542-65-3]

Identification

• Name: 5-[4-(4-Chlorophenyl)-4-Hydroxy-1-Piperidinyl]-2,2-Diphenylpentanenitrile
• Synonyms: 5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentanenitrile; BX 513 hydrochloride
• Molecular Formula: C₂₈H₂₉ClN₂O
• Molecular Weight: 445.00
• CAS Registry Number: 193542-65-3
• SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4
• InChI: 1S/C28H29ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2
• InChIKey: MEEJEEVTIVAOJP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 640.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 341.3±31.5°C (Cal.)
• Refractive index: 1.606 (Cal.)