N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-1,2-ethanediamine (Z)-2-butenedioate (1:2)

Base Information

• Chemical Name: N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-1,2-ethanediamine (Z)-2-butenedioate (1:2)
• CAS No.: 117125-51-6
• Molecular Formula: C24H26N2O8S
• Molecular Weight: 502.5368

Synonyms:N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-1,2-ethanediamine (Z)-2-butenedioate (1:2);N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)ethylenediamine bis(hydrogen maleate);1,2-Ethanediamine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, (Z)-2-butenedioate (1:2);117125-51-6;C16H18N2S.2C4H4O4;LS-65429;C16-H18-N2-S.2C4-H4-O4

Chemical Property of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-1,2-ethanediamine (Z)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 9.26E-08mmHg at 25°C
• Boiling Point: 434.7°Cat760mmHg
• Flash Point: 216.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 502.14098697
• Heavy Atom Count: 35
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(C3=CC=CC=C3S1)NCCN.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1SC2=CC=CC=C2C(C3=CC=CC=C31)NCCN.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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