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

Base Information

• Chemical Name: 3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 25313-15-9
• Molecular Formula: C24H33ClFN7O7S2
• Molecular Weight: 650.1429
• NSC Number: 125348
• DSSTox Substance ID: DTXSID40298681
• Mol file: 25313-15-9.mol

Synonyms:25313-15-9;NSC125348;DTXSID40298681;NSC-125348;Ethanesulfonic acid--3-[({4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]butyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 649.1555446
• Heavy Atom Count: 42
• Complexity: 1050

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)OCCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C

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