1-[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-2-butanol methanesulfonate (1:1)
[CAS# 86499-09-4]

Identification

• Name: 1-[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-2-butanol methanesulfonate (1:1)
• Synonyms: 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-α-ethyl-, monomethanesulfonate; 2-Chloro-11-(4-(2-hydroxybutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate
• Molecular Formula: C₂₃H₃₁ClN₂O₄S₂
• Molecular Weight: 499.09
• CAS Registry Number: 86499-09-4
• SMILES: O=S(=O)(O)C.Clc4cc2c(Sc1ccccc1CC2N3CCN(CC(O)CC)CC3)cc4
• InChI: 1S/C22H27ClN2OS.CH4O3S/c1-2-18(26)15-24-9-11-25(12-10-24)20-13-16-5-3-4-6-21(16)27-22-8-7-17(23)14-19(20)22;1-5(2,3)4/h3-8,14,18,20,26H,2,9-13,15H2,1H3;1H3,(H,2,3,4)
• InChIKey: JNPWVBCRMOPCRM-UHFFFAOYSA-N

Properties

• Boiling point: 520°C at 760 mmHg (Cal.)
• Flash point: 268.3°C (Cal.)