5-(3-(2-(3-Methylphenoxy)ethylamine)propionyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine (E)-2-butenedioate (1:1)
[CAS# 134296-41-6]

Identification

• Name: 5-(3-(2-(3-Methylphenoxy)ethylamine)propionyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine (E)-2-butenedioate (1:1)
• Synonyms: 5-(3-(2-(3-Methylphenoxy)Ethylamine)Propionyl)-2,3,4,5-Tetrahydro-1,5-Benzothiazepine; Kt2 230; Kt2-230
• Molecular Formula: C₂₅H₃₀N₂O₆S
• Molecular Weight: 486.58
• CAS Registry Number: 134296-41-6
• SMILES: C3=C2N(C(=O)CCNCCOC1=CC(=CC=C1)C)CCCSC2=CC=C3.O=C(O)\C=C\C(=O)O
• InChI: 1S/C21H26N2O2S.C4H4O4/c1-17-6-4-7-18(16-17)25-14-12-22-11-10-21(24)23-13-5-15-26-20-9-3-2-8-19(20)23;5-3(6)1-2-4(7)8/h2-4,6-9,16,22H,5,10-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: DIQDGLYESHFMOW-WLHGVMLRSA-N

Properties

• Boiling point: 601.7°C at 760 mmHg (Cal.)
• Flash point: 317.7°C (Cal.)