But-2-Enedioic Acid; 10-(3-Dimethylaminopropoxy)-5,6-Dihydrobenzo[b][1]Benzothiepin-6-Ol
[CAS# 125982-00-5]

Identification

• Name: But-2-Enedioic Acid; 10-(3-Dimethylaminopropoxy)-5,6-Dihydrobenzo[b][1]Benzothiepin-6-Ol
• Synonyms: 6-(3-Dimethylaminopropoxy)-10,11-Dihydrodibenzo(B,F)Thiepin-10-Ol Hydrogen Maleate; Dibenzo(B,F)Thiepin-10-Ol, 10,11-Dihydro-6-(3-(Dimethylamino)Propoxy)-, (Z)-2-Butenedioate (1:1) (Salt)
• Molecular Formula: C₂₃H₂₇NO₆S
• Molecular Weight: 445.53
• CAS Registry Number: 125982-00-5
• SMILES: C1=C3C(=C(OCCCN(C)C)C=C1)SC2=CC=CC=C2CC3O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C19H23NO2S.C4H4O4/c1-20(2)11-6-12-22-17-9-5-8-15-16(21)13-14-7-3-4-10-18(14)23-19(15)17;5-3(6)1-2-4(7)8/h3-5,7-10,16,21H,6,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: PXJRUEVCXOJRLM-WLHGVMLRSA-N

Properties

• Boiling point: 462.3°C at 760 mmHg (Cal.)
• Flash point: 233.4°C (Cal.)