1-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-4-Ium-1-Yl]-2-Chloroethanone
[CAS# 38740-33-9]

Identification

• Name: 1-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-4-Ium-1-Yl]-2-Chloroethanone
• Synonyms: 1-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-4-Ium-1-Yl]-2-Chloro-Ethanone; 1-[4-(1,3-Benzodioxol-5-Ylmethyl)-1-Piperazin-4-Iumyl]-2-Chloroethanone; Zinc01465834
• Molecular Formula: C₁₄H₁₈ClN₂O₃
• Molecular Weight: 297.76
• CAS Registry Number: 38740-33-9
• SMILES: C1=C(C=C2C(=C1)OCO2)C[NH+]3CCN(CC3)C(=O)CCl
• InChI: 1S/C14H17ClN2O3/c15-8-14(18)17-5-3-16(4-6-17)9-11-1-2-12-13(7-11)20-10-19-12/h1-2,7H,3-6,8-10H2/p+1
• InChIKey: PJMNMVAFIWUXCV-UHFFFAOYSA-O

Properties

• Boiling point: 444.728°C at 760 mmHg (Cal.)
• Flash point: 222.764°C (Cal.)