1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, butanedioate, hydrate (1:1:1)

Base Information

• Chemical Name: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, butanedioate, hydrate (1:1:1)
• CAS No.: 73225-70-4
• Molecular Formula: C24H29ClN2O6S
• Molecular Weight: 509.0149
• DSSTox Substance ID: DTXSID30993951

Synonyms:VUFB12.397;1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, butanedioate, hydrate (1:1:1);73225-70-4;DTXSID30993951;C20H23ClN2O2S.C4H6O4.H2O;LS-112163;C20-H23-Cl-N2-O2-S.C4-H6-O4.H2-O;Butanedioic acid--2-chloro-10-[4-(2-hydroxyethyl)piperazin-1-yl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one (1/1)

Chemical Property of 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, butanedioate, hydrate (1:1:1)

Chemical Property:

• Vapor Pressure: 8.46E-14mmHg at 25°C
• Boiling Point: 569.3°Cat760mmHg
• Flash Point: 298.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 508.1434855
• Heavy Atom Count: 34
• Complexity: 593

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)S(=O)C4=CC=CC=C24.C(CC(=O)O)C(=O)O

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