4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol propanoate dimaleate

Base Information

• Chemical Name: 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol propanoate dimaleate
• CAS No.: 29084-27-3
• Molecular Formula: C32H37ClN2O10S
• Molecular Weight: 677.1616
• Mol file: 29084-27-3.mol

Synonyms:4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol propanoate dimaleate;1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, propanoate (ester), (Z)-2-butenedioate (1:2);29084-27-3;C24H29ClN2O2S.2C4H4O4;LS-113300;C24-H29-Cl-N2-O2-S.2C4-H4-O4

Chemical Property of 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol propanoate dimaleate

Chemical Property:

• Vapor Pressure: 6.66E-12mmHg at 25°C
• Boiling Point: 544.2°Cat760mmHg
• Flash Point: 282.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 676.1857442
• Heavy Atom Count: 46
• Complexity: 676

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCC(=O)OCCCN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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