(E)-but-2-enedioic acid;6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide

Base Information

• Chemical Name: (E)-but-2-enedioic acid;6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
• CAS No.: 155444-13-6
• Molecular Formula: C28H33N3O11S
• Molecular Weight: 619.6401
• Mol file: 155444-13-6.mol

Synonyms:155444-13-6;(E)-but-2-enedioic acid;6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide;Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperazinyl)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1:1);LS-61289

Chemical Property of (E)-but-2-enedioic acid;6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide

Chemical Property:

• Vapor Pressure: 1.39E-11mmHg at 25°C
• Boiling Point: 536.5°Cat760mmHg
• Flash Point: 278.3°C
• PSA: 144.86000
• Density: g/cm³
• LogP: 2.96060
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 619.18358005
• Heavy Atom Count: 43
• Complexity: 707

Purity/Quality:

99% ^*data from raw suppliers

DIBENZO(C,F)(1,2)THIAZEPINE, 6,11-DIHYDRO-6-METHYL-11-(2-(1-PIPERAZINY L)ETHOXY)-, 5,5-DIOXIDE,(Z)-2-BUTENEDIOATE (1:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)OCCN4CCNCC4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1S(=O)(=O)C2=CC=CC=C2C(C3=CC=CC=C13)OCCN4CCNCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O