Zolertine
[CAS# 7241-94-3]

Identification

• Name: Zolertine
• Synonyms: 1-Phenyl-4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Ethyl]Piperazine Hydrochloride; Zolertine Hydrochloride; D06380
• Molecular Formula: C₁₃H₁₉ClN₆
• Molecular Weight: 294.79
• CAS Registry Number: 7241-94-3
• SMILES: [H+].C3=C(N1CCN(CC1)CCC2=N[NH]N=N2)C=CC=C3.[Cl-]
• InChI: 1S/C13H18N6.ClH/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13;/h1-5H,6-11H2,(H,14,15,16,17);1H
• InChIKey: QVIZGERPBBPGRI-UHFFFAOYSA-N

Properties

• Boiling point: 470.6°C at 760 mmHg (Cal.)
• Flash point: 238.4°C (Cal.)