Oxalic acid--3-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N,N-dimethylpropan-1-amine (1/1)

Base Information

• Chemical Name: Oxalic acid--3-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N,N-dimethylpropan-1-amine (1/1)
• CAS No.: 82387-05-1
• Molecular Formula: C20H23NO5S
• Molecular Weight: 407.484
• DSSTox Substance ID: DTXSID401002643
• Mol file: 82387-05-1.mol

Synonyms:82387-05-1;DTXSID401002643;Oxalic acid--3-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N,N-dimethylpropan-1-amine (1/1)

Chemical Property of Oxalic acid--3-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N,N-dimethylpropan-1-amine (1/1)

Chemical Property:

• Boiling Point: 398oC at 760 mmHg
• Flash Point: 194.5oC
• PSA: 112.37000
• LogP: 4.12310
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 389.12969401
• Heavy Atom Count: 27
• Complexity: 394

Purity/Quality:

95% ^*data from raw suppliers

11-(3-DIMETHYLAMINOPROPYL)-11H-DIBENZ(B,F)-1,4-OXATHIEPIN HYDROGEN OXA LATE HEMIHYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)O)O

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