2-Chloro-11-(4-(4-hydroxypentyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate)

Base Information

• Chemical Name: 2-Chloro-11-(4-(4-hydroxypentyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate)
• CAS No.: 86499-16-3
• Molecular Formula: C31H37ClN2O9S
• Molecular Weight: 649.157
• Mol file: 86499-16-3.mol

Synonyms:2-Chloro-11-(4-(4-hydroxypentyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate);1-Piperazinebutanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, (Z)-2-butenedioate (1:2);86499-16-3;LS-110558

Chemical Property of 2-Chloro-11-(4-(4-hydroxypentyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate)

Chemical Property:

• Vapor Pressure: 2.17E-12mmHg at 25°C
• Boiling Point: 537.6°C at 760 mmHg
• Flash Point: 278.9°C
• PSA: 126.61000
• LogP: 4.45460
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 648.1908296
• Heavy Atom Count: 44
• Complexity: 606

Purity/Quality:

1-PIPERAZINEBUTANOL, 4-(8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-Y L)-ALPHA-METHYL-, (Z)-2-BUTENEDIOATE (1:2) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2CC(C3=C(C=CC(=C3)Cl)SC2=CC=C1)N4CCN(CC4)CCCCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC1=C2C(=CC=C1)SC3=C(C(C2)N4CCN(CC4)CCCCO)C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O