Ethyl 2-(6,11-dihydrodibenzo(b,e)thiepin-11-ylamino)propionate hydrochloride

Base Information

• Chemical Name: Ethyl 2-(6,11-dihydrodibenzo(b,e)thiepin-11-ylamino)propionate hydrochloride
• CAS No.: 117125-41-4
• Molecular Formula: C₁₉H₂₁NO₂S*ClH
• Molecular Weight: 363.908
• DSSTox Substance ID: DTXSID80922296
• Mol file: 117125-41-4.mol

Synonyms:Ethyl 2-(6,11-dihydrodibenzo(b,e)thiepin-11-ylamino)propionate hydrochloride;L-Alanine, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, ethyl ester, hydrochloride;117125-41-4;DTXSID80922296;LS-16040;Ethyl N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)alaninate--hydrogen chloride (1/1)

Chemical Property of Ethyl 2-(6,11-dihydrodibenzo(b,e)thiepin-11-ylamino)propionate hydrochloride

Chemical Property:

• Vapor Pressure: 2.6E-08mmHg at 25°C
• Boiling Point: 450.6°C at 760 mmHg
• Flash Point: 226.3°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 363.1059778
• Heavy Atom Count: 24
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)NC1C2=CC=CC=C2CSC3=CC=CC=C13.Cl
• Isomeric SMILES: CCOC(=O)[C@H](C)NC1C2=CC=CC=C2CSC3=CC=CC=C13.Cl