2,5-Dimethoxy-4-(Heptylthio)-N-Methylbenzeneethanamine (Z)-2-Butenedioate (1:1)
[CAS# 129658-31-7]

Identification

• Name: 2,5-Dimethoxy-4-(Heptylthio)-N-Methylbenzeneethanamine (Z)-2-Butenedioate (1:1)
• Synonyms: Benzeneethanamine, 2,5-Dimethoxy-4-(Heptylthio)-N-Methyl-, (Z)-2-Butenedioate (1:1); N-Methyl-2-(4-(Heptylthio)-2,5-Dimethoxyphenyl)Ethylamine Maleate
• Molecular Formula: C₂₂H₃₅NO₆S
• Molecular Weight: 441.58
• CAS Registry Number: 129658-31-7
• SMILES: C1=C(OC)C(=CC(=C1SCCCCCCC)OC)CCNC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C18H31NO2S.C4H4O4/c1-5-6-7-8-9-12-22-18-14-16(20-3)15(10-11-19-2)13-17(18)21-4;5-3(6)1-2-4(7)8/h13-14,19H,5-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: IGGYDCCELBGULX-WLHGVMLRSA-N

Properties

• Boiling point: 434.2°C at 760 mmHg (Cal.)
• Flash point: 216.4°C (Cal.)