4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid

Base Information

• Chemical Name: 4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 31368-56-6
• Molecular Formula: C23H31ClFN5O5S2
• Molecular Weight: 576.1041
• NSC Number: 127159
• DSSTox Substance ID: DTXSID80298968

Synonyms:31368-56-6;NSC127159;DTXSID80298968;NSC-127159;Ethanesulfonic acid--4-{4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)

Chemical Property of 4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid

Chemical Property:

• Vapor Pressure: 8.85E-15mmHg at 25°C
• Boiling Point: 609.1°Cat760mmHg
• Flash Point: 322.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 575.1439173
• Heavy Atom Count: 37
• Complexity: 895

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C

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