2-(4-Heptylsulfanyl-2,5-Dimethoxyphenyl)Ethanamine Butenedioate
[CAS# 129658-28-2]

Identification

• Name: 2-(4-Heptylsulfanyl-2,5-Dimethoxyphenyl)Ethanamine Butenedioate
• Synonyms: But-2-Enedioic Acid; 2-(4-Heptylsulfanyl-2,5-Dimethoxy-Phenyl)Ethanamine; But-2-Enedioic Acid; 2-[4-(Heptylthio)-2,5-Dimethoxyphenyl]Ethanamine; But-2-Enedioic Acid; 2-[4-(Heptylthio)-2,5-Dimethoxy-Phenyl]Ethylamine
• Molecular Formula: C₂₁H₃₃NO₆S
• Molecular Weight: 427.55
• CAS Registry Number: 129658-28-2
• SMILES: C1=C(OC)C(=CC(=C1SCCCCCCC)OC)CCN.O=C(O)\C=C\C(=O)O
• InChI: 1S/C17H29NO2S.C4H4O4/c1-4-5-6-7-8-11-21-17-13-15(19-2)14(9-10-18)12-16(17)20-3;5-3(6)1-2-4(7)8/h12-13H,4-11,18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: KMEXKDSOEGYUCQ-WLHGVMLRSA-N

Properties

• Boiling point: 430.6°C at 760 mmHg (Cal.)
• Flash point: 214.2°C (Cal.)