N-[2-[(6-Chlorobenzothiazol-2-YL)azo]-5-[(2-cyanoethyl)pentylamino]phenyl]acetamide

Base Information

• Chemical Name: N-[2-[(6-Chlorobenzothiazol-2-YL)azo]-5-[(2-cyanoethyl)pentylamino]phenyl]acetamide
• CAS No.: 76213-94-0
• Molecular Formula: C23H25 Cl N6 O S
• Molecular Weight: 469.0022
• European Community (EC) Number: 278-391-4
• DSSTox Substance ID: DTXSID801121586
• Nikkaji Number: J25.684F
• Mol file: 76213-94-0.mol

Synonyms:76213-94-0;EINECS 278-391-4;N-[2-[(6-CHLOROBENZOTHIAZOL-2-YL)AZO]-5-[(2-CYANOETHYL)PENTYLAMINO]PHENYL]ACETAMIDE;N-(2-((6-Chlorobenzothiazol-2-yl)azo)-5-((2-cyanoethyl)pentylamino)phenyl)acetamide;HMQPYUOIUSLRKH-UHFFFAOYSA-N;DTXSID801121586;NS00058434;N-[2-[2-(6-Chloro-2-benzothiazolyl)diazenyl]-5-[(2-cyanoethyl)pentylamino]phenyl]acetamide

Chemical Property of N-[2-[(6-Chlorobenzothiazol-2-YL)azo]-5-[(2-cyanoethyl)pentylamino]phenyl]acetamide

Chemical Property:

• PSA: 125.47000
• Density: 1.31g/cm³
• LogP: 7.88328
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 468.1499083
• Heavy Atom Count: 32
• Complexity: 685

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN(CCC#N)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)Cl)NC(=O)C

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