4-(10,11-Dihydro-3-fluoro-8-iododibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)

Base Information

• Chemical Name: 4-(10,11-Dihydro-3-fluoro-8-iododibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)
• CAS No.: 80760-86-7
• Molecular Formula: C28H30FIN2O9S
• Molecular Weight: 716.514
• Mol file: 80760-86-7.mol

Synonyms:4-(10,11-Dihydro-3-fluoro-8-iododibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2);80760-86-7;1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-iododibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2);C20H22FIN2OS.2C4H4O4;C20-H22-F-I-N2-O-S.2C4-H4-O4;LS-112287

Chemical Property of 4-(10,11-Dihydro-3-fluoro-8-iododibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)

Chemical Property:

• Vapor Pressure: 9.5E-12mmHg at 25°C
• Boiling Point: 522.6°C at 760 mmHg
• Flash Point: 269.9°C
• PSA: 126.61000
• LogP: 3.37620
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 716.07008
• Heavy Atom Count: 42
• Complexity: 584

Purity/Quality:

1-PIPERAZINEETHANOL, 4-(10,11-DIHYDRO-3-FLUORO-8-IODODIBENZO(B,F)THIEP IN-10-YL)-, (Z)-2-BUTENEDIOATE (1:2) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)I.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1N(CCN(C1)C2C3=C(SC4=C(C2)C=CC(=C4)F)C=CC(=C3)I)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O