Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(4-methoxyphenyl)ethyl)-,(Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(4-methoxyphenyl)ethyl)-,(Z)-2-butenedioate (1:1)
• CAS No.: 59698-61-2
• Molecular Formula: C31H33ClN2O5S
• Molecular Weight: 581.1221

Synonyms:59698-61-2;Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(4-methoxyphenyl)ethyl)-,(Z)-2-butenedioate (1:1);C27H29ClN2OS.C4H4O4;LS-111076;C27-H29-Cl-N2-O-S.C4-H4-O4

Chemical Property of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(4-methoxyphenyl)ethyl)-,(Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 6.66E-13mmHg at 25°C
• Boiling Point: 567.7°Cat760mmHg
• Flash Point: 297.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 580.1798710
• Heavy Atom Count: 40
• Complexity: 697

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC1=CC=C(C=C1)CCN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O

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