8-Chloro-10-(4-benzylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate hemihydrate

Base Information

• Chemical Name: 8-Chloro-10-(4-benzylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate hemihydrate
• CAS No.: 19939-36-7
• Molecular Formula: C29H29ClN2O4S
• Molecular Weight: 537.0696

Synonyms:8-Chloro-10-(4-benzylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate hemihydrate;Piperazine, 1-benzyl-4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate, hydrate (2:2:1);19939-36-7;C25H25ClN2S.C4H4O4.1/2H2O;LS-110357;C25-H25-Cl-N2-S.C4-H4-O4.1/2H2-O

Chemical Property of 8-Chloro-10-(4-benzylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate hemihydrate

Chemical Property:

• Vapor Pressure: 5.58E-11mmHg at 25°C
• Boiling Point: 521.6°C at 760 mmHg
• Flash Point: 269.3°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 536.1536563
• Heavy Atom Count: 37
• Complexity: 636

Purity/Quality:

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• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CN(CCN1CC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O

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