3-[Butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile

Base Information

• Chemical Name: 3-[Butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile
• CAS No.: 67905-67-3
• Molecular Formula: C20H20N6O2S
• Molecular Weight: 408.4768
• European Community (EC) Number: 267-684-2
• DSSTox Substance ID: DTXSID60867393
• Nikkaji Number: J287.707D
• Mol file: 67905-67-3.mol

Synonyms:67905-67-3;EINECS 267-684-2;3-[Butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile;C20H20N6O2S;2-(4-(N-Butyl-N-cyanoethylamino)phenylazo)-6-nitrobenzothiazole;6-Nitro-2-(4-((2-cyanoethyl)butylamino)phenylazo)benzothiazole;Propanenitrile, 3-(butyl(4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)-;Propanenitrile, 3-[butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-;Propanenitrile, 3-(butyl(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-;3-(Butyl(4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)propiononitrile;Propanenitrile, 3-[butyl[4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-;DTXSID60867393;C20-H20-N6-O2-S;3-[Butyl[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile;Propanenitrile, 3-[butyl[4-[(6-nitro-2-benzothiazolyl) azo]phenyl]amino]-

Chemical Property of 3-[Butyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]propiononitrile

Chemical Property:

• Vapor Pressure: 1.07E-15mmHg at 25°C
• Boiling Point: 628.2°Cat760mmHg
• Flash Point: 333.7°C
• PSA: 138.70000
• Density: 1.31g/cm³
• LogP: 6.66328
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 408.13684508
• Heavy Atom Count: 29
• Complexity: 610

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

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