Propanenitrile, 3-(butyl(4-((6-methoxy-2-benzothiazolyl)azo)phenyl)amino)-

Base Information

• Chemical Name: Propanenitrile, 3-(butyl(4-((6-methoxy-2-benzothiazolyl)azo)phenyl)amino)-
• CAS No.: 63589-45-7
• Molecular Formula: C21H23N5OS
• Molecular Weight: 393.5052
• DSSTox Substance ID: DTXSID5069964
• Nikkaji Number: J429.613C
• Mol file: 63589-45-7.mol

Synonyms:63589-45-7;Propanenitrile, 3-(butyl(4-((6-methoxy-2-benzothiazolyl)azo)phenyl)amino)-;Propanenitrile, 3-[butyl[4-[(6-methoxy-2-benzothiazolyl)azo]phenyl]amino]-;C21H23N5OS;Propanenitrile, 3-(butyl(4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)phenyl)amino)-;DTXSID5069964;C21-H23-N5-O-S;3-[Butyl[4-[(6-methoxybenzothiazol-2-yl)azo]phenyl]amino]propanenitrile

Chemical Property of Propanenitrile, 3-(butyl(4-((6-methoxy-2-benzothiazolyl)azo)phenyl)amino)-

Chemical Property:

• Vapor Pressure: 4.43E-14mmHg at 25°C
• Boiling Point: 594°Cat760mmHg
• PKA: 1.81±0.50(Predicted)
• Flash Point: 313.1°C
• Density: 1.2g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 393.16233155
• Heavy Atom Count: 28
• Complexity: 542

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC