3-(4-(2-Hydroxyethyl)piperazino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin bismaleate hydrate

Base Information

• Chemical Name: 3-(4-(2-Hydroxyethyl)piperazino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin bismaleate hydrate
• CAS No.: 84964-52-3
• Molecular Formula: C34H36N2O9S
• Molecular Weight: 1387.53
• Mol file: 84964-52-3.mol

Synonyms:3-(4-(2-Hydroxyethyl)piperazino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin bismaleate hydrate;84964-52-3;1-Piperazineethanol, 4-(6,11-dihydro-11-phenyldibenzo(b,e)thiepin-3-yl)-, (Z)-2-butenedioate, hydrate (2:4:5);LS-112307;C52H56N4O2S2.4C4H4O4.5H2O;C52-H56-N4-O2-S2.4C4-H4-O4.5H2-O

Chemical Property of 3-(4-(2-Hydroxyethyl)piperazino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin bismaleate hydrate

Chemical Property:

• Vapor Pressure: 6.73E-15mmHg at 25°C
• Boiling Point: 592.8°C at 760 mmHg
• Flash Point: 312.3°C
• PSA: 201.21000
• LogP: 4.01330
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 648.21415190
• Heavy Atom Count: 46
• Complexity: 650

Purity/Quality:

1-PIPERAZINEETHANOL, 4-(6,11-DIHYDRO-11-PHENYLDIBENZO(B,E)THIEPIN-3-YL)-, (Z)-2-BUTENEDIOATE, HYDRATE (2:4:5) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCO)C2=CC3=C(C=C2)C(C4=CC=CC=C4CS3)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1N(CCN(C1)C2=CC3=C(C(C4=CC=CC=C4CS3)C5=CC=CC=C5)C=C2)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O