2,5-Dimethoxy-N-Methyl-4-(Pentylthio)Benzeneethanamine (Z)-2-Butenedioate (1:1)
[CAS# 129658-13-5]

Identification

• Name: 2,5-Dimethoxy-N-Methyl-4-(Pentylthio)Benzeneethanamine (Z)-2-Butenedioate (1:1)
• Synonyms: Benzeneethanamine, 2,5-Dimethoxy-N-Methyl-4-(Pentylthio)-, (Z)-2-Butenedioate (1:1); N-Methyl-2-(2,5-Dimethoxy-4-(Pentylthio)Phenyl)Ethylamine Maleate
• Molecular Formula: C₂₀H₃₁NO₆S
• Molecular Weight: 413.53
• CAS Registry Number: 129658-13-5
• SMILES: C1=C(OC)C(=CC(=C1SCCCCC)OC)CCNC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C16H27NO2S.C4H4O4/c1-5-6-7-10-20-16-12-14(18-3)13(8-9-17-2)11-15(16)19-4;5-3(6)1-2-4(7)8/h11-12,17H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: XWIXDAQCAHECQM-WLHGVMLRSA-N

Properties

• Boiling point: 407.1°C at 760 mmHg (Cal.)
• Flash point: 200°C (Cal.)