Benzo[1,3]Dioxol-5-Ylmethyl-[2-(4-Fluoro-Phenyl)-Ethyl]-Amine
[CAS# 435345-36-1]

Identification

• Name: Benzo[1,3]Dioxol-5-Ylmethyl-[2-(4-Fluoro-Phenyl)-Ethyl]-Amine
• Synonyms: 1,3-Benzodioxol-5-Ylmethyl-[2-(4-Fluorophenyl)Ethyl]Ammonium; Zinc01846734
• Molecular Formula: C₁₆H₁₇FNO₂
• Molecular Weight: 274.31
• CAS Registry Number: 435345-36-1
• SMILES: C2=C(C[NH2+]CCC1=CC=C(F)C=C1)C=CC3=C2OCO3
• InChI: 1S/C16H16FNO2/c17-14-4-1-12(2-5-14)7-8-18-10-13-3-6-15-16(9-13)20-11-19-15/h1-6,9,18H,7-8,10-11H2/p+1
• InChIKey: GIHYLDHKZINEEO-UHFFFAOYSA-O

Properties

• Boiling point: 393.423°C at 760 mmHg (Cal.)
• Flash point: 191.736°C (Cal.)