2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl butylcarbamate

Base Information

• Chemical Name: 2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl butylcarbamate
• CAS No.: 60809-93-0
• Molecular Formula: C22H26 N6 O4 S
• Molecular Weight: 470.54464
• European Community (EC) Number: 262-438-0
• DSSTox Substance ID: DTXSID801116454
• Nikkaji Number: J268.294J
• Mol file: 60809-93-0.mol

Synonyms:60809-93-0;EINECS 262-438-0;2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl butylcarbamate;2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl butylcarbamate;DTXSID801116454;C22-H26-N6-O4-S;Butylcarbamic acid 2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl ester;Carbamic acid, butyl-, 2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl ester

Chemical Property of 2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl butylcarbamate

Chemical Property:

• Vapor Pressure: 6.64E-18mmHg at 25°C
• Boiling Point: 671.7°C at 760 mmHg
• PKA: 12.80±0.46(Predicted)
• Flash Point: 360°C
• PSA: 156.73000
• Density: 1.33g/cm³
• LogP: 6.70010
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 470.17362451
• Heavy Atom Count: 33
• Complexity: 655

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

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