6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)

Base Information

• Chemical Name: 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)
• CAS No.: 125981-97-7
• Molecular Formula: C38H40N2O8S2
• Molecular Weight: 716.8628
• DSSTox Substance ID: DTXSID90925339
• Mol file: 125981-97-7.mol

Synonyms:6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1);125981-97-7;Dibenzo(b,f)thiepin-10(11H)-one, 6-(3-(methylamino)propoxy)-, ethanedioate, hydrate (2:1:1);DTXSID90925339;LS-61457;Oxalic acid--6-[3-(methylamino)propoxy]dibenzo[b,f]thiepin-10(11H)-one (1/2)

Chemical Property of 6-(3-Methylaminopropoxy)dibenzo(b,f)thiepin-10(11H)-one oxalate hydrate (2:1:1)

Chemical Property:

• Vapor Pressure: 3.1E-10mmHg at 25°C
• Boiling Point: 502.7°Cat760mmHg
• Flash Point: 257.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 716.22260859
• Heavy Atom Count: 50
• Complexity: 448

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3CC2=O.CNCCCOC1=CC=CC2=C1SC3=CC=CC=C3CC2=O.C(=O)(C(=O)O)O