3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylpropan-1-amine;oxalic acid

Base Information

• Chemical Name: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylpropan-1-amine;oxalic acid
• CAS No.: 82387-11-9
• Molecular Formula: C19H21NO5S
• Molecular Weight: 375.4387
• DSSTox Substance ID: DTXSID501002646
• ChEMBL ID: CHEMBL1460809
• Mol file: 82387-11-9.mol

Synonyms:82387-11-9;C17-H19-N-O-S.C2-H2-O4;MLS000549181;3-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methyl-1-propanamine;CHEMBL1460809;REGID_for_CID_9549702;DTXSID501002646;HMS2322H22;SMR000113905;Oxalic acid--3-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylpropan-1-amine (1/1)

Chemical Property of 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylpropan-1-amine;oxalic acid

Chemical Property:

• Vapor Pressure: 1.47E-06mmHg at 25°C
• Boiling Point: 398.5°Cat760mmHg
• Flash Point: 194.8°C
• PSA: 121.16000
• Density: g/cm³
• LogP: 4.17180
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 375.11404394
• Heavy Atom Count: 26
• Complexity: 370

Purity/Quality:

11-(3-METHYLAMINOPROPYL)-11H-DIBENZO(B,F)-1,4-OXATHIEPIN HYDROGEN OXAL ATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)O)O

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