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

Base Information

• Chemical Name: 4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 21316-20-1
• Molecular Formula: C21H28FN7O6S2
• Molecular Weight: 557.6187
• NSC Number: 122136
• DSSTox Substance ID: DTXSID90298277

Synonyms:21316-20-1;NSC122136;DTXSID90298277;NSC-122136;Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)benzyl]carbamoyl]sulfanilyl fluoride (1:1);Ethanesulfonic acid--4-[({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 557.15265215
• Heavy Atom Count: 37
• Complexity: 929

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

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)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C

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