6,11-Dihydro-N,N-Dimethyldibenzo(b,e)Thiepin-11-Propylamine 5,5-Dioxide Fumarate
[CAS# 23735-20-8]

Identification

• Name: 6,11-Dihydro-N,N-Dimethyldibenzo(b,e)Thiepin-11-Propylamine 5,5-Dioxide Fumarate
• Synonyms: Dibenzo(B,E)Thiepin-11-Propylamine, 6,11-Dihydro-N,N-Dimethyl-, 5,5-Dioxide, Fumarate (1:1); 11-(3-Dimethylaminopropyl)-6,11-Dihydrodibenzo(B,E)Thiepin 5,5-Dioxide Hydrogen Fumarate; 6,11-Dihydro-N,N-Dimethyldibenzo(B,E)Thiepin-11-Propylamine 5,5-Dioxide Fumarate
• Molecular Formula: C₂₃H₂₇NO₆S
• Molecular Weight: 445.53
• CAS Registry Number: 23735-20-8
• SMILES: C1=CC=CC2=C1[S](=O)(=O)CC3=C(C2CCC[NH+](C)C)C=CC=C3.O=C([O-])\C=C\C(=O)O
• InChI: 1S/C19H23NO2S.C4H4O4/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-23(21,22)19-12-6-5-10-18(17)19;5-3(6)1-2-4(7)8/h3-6,8-10,12,17H,7,11,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: RNXSDOIOYIQFQE-WLHGVMLRSA-N

Properties

• Boiling point: 483°C at 760 mmHg (Cal.)
• Flash point: 245.9°C (Cal.)