3-((Methyl(2-Phenylethyl)Amino)Methyl)-Benzo[c]Thiophen-1(3H)-One Ethanedioate
[CAS# 97874-33-4]

Identification

• Name: 3-((Methyl(2-Phenylethyl)Amino)Methyl)-Benzo[c]Thiophen-1(3H)-One Ethanedioate
• Synonyms: 3-[(Methyl-(2-Phenylethyl)Amino)Methyl]-3H-Isobenzothiophen-1-One; Oxalic Acid; Ethanedioic Acid; 3-[(Methyl-(2-Phenylethyl)Amino)Methyl]-3H-2-Benzothiophen-1-One; 3-((Methyl(2-Phenylethyl)Amino)Methyl)Benzo(C)Thiophen-1(3H)-One Ethanedioate (1:1)
• Molecular Formula: C₂₀H₂₁NO₅S
• Molecular Weight: 387.45
• CAS Registry Number: 97874-33-4
• SMILES: C1=C2C(=CC=C1)C(SC2CN(CCC3=CC=CC=C3)C)=O.O=C(O)C(=O)O
• InChI: 1S/C18H19NOS.C2H2O4/c1-19(12-11-14-7-3-2-4-8-14)13-17-15-9-5-6-10-16(15)18(20)21-17;3-1(4)2(5)6/h2-10,17H,11-13H2,1H3;(H,3,4)(H,5,6)
• InChIKey: KDWHHALWBMMKJO-UHFFFAOYSA-N

Properties

• Boiling point: 422.2°C at 760 mmHg (Cal.)
• Flash point: 209.1°C (Cal.)