Nitrothiepine maleate

Base Information

• Chemical Name: Nitrothiepine maleate
• CAS No.: 20906-52-9
• Molecular Formula: C23H25N3O6S
• Molecular Weight: 471.5261
• Mol file: 20906-52-9.mol

Synonyms:Nitrothepin maleate;Nitrothiepine maleate;8-Nitro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate;DIBENZO(b,f)THIEPIN, 10,11-DIHYDRO-10-(4-METHYLPIPERAZINO)-8-NITRO-, MALEATE;Piperazine, 1-(10,11-dihydro-8-nitrodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrogen maleate;LS-61394;20906-52-9

Chemical Property of Nitrothiepine maleate

Chemical Property:

• Vapor Pressure: 4.7E-09mmHg at 25°C
• Boiling Point: 471.3°Cat760mmHg
• Flash Point: 238.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 471.14640670
• Heavy Atom Count: 33
• Complexity: 607

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[N+](=O)[O-].C(=CC(=O)[O-])C(=O)O
• Isomeric SMILES: CN1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[N+](=O)[O-].C(=C\C(=O)[O-])\C(=O)O