6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate

Base Information

• Chemical Name: 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate
• CAS No.: 122942-80-7
• Molecular Formula: C27H29NO4S
• Molecular Weight: 463.5885
• DSSTox Substance ID: DTXSID30924326

Synonyms:6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate;122942-80-7;N,N-Dimethyl-3-(6-phenyl-6,11-dihydrodibenzo(b,e)thiepin-11-yl)propylamine oxalate hydrate;Dibenzo(b,e)thiepin-11-propanamine, 6,11-dihydro-N,N-dimethyl-6-phenyl-, ethanedioate, hydrate (1:1:1);DTXSID30924326;LS-61467;Oxalic acid--N,N-dimethyl-3-(6-phenyl-6,11-dihydrodibenzo[b,e]thiepin-11-yl)propan-1-amine (1/1)

Chemical Property of 6,11-Dihydro-N,N-dimethyl-6-phenyldibenzo(b,e)thiepin-11-propanamine ethanedioate hydrate

Chemical Property:

• Vapor Pressure: 1.29E-09mmHg at 25°C
• Boiling Point: 486.5°Cat760mmHg
• Flash Point: 248°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 463.18172958
• Heavy Atom Count: 33
• Complexity: 515

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCC1C2=CC=CC=C2C(SC3=CC=CC=C13)C4=CC=CC=C4.C(=O)(C(=O)O)O

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