ethylenebismelamine structure

ethylenebismelamine

4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride

Also Known As: ethylenebismelamine|4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride|4-((3-(4-(6-Amino-7H-purin-8-yl)benzoyl)phenyl)carbamoyl)benzene-1-sulfonyl fluoride|4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]ben|4-({3-[4-(6-Amino-7H-purin-8-yl)benzoyl]phenyl}carbamoyl)benzene-1-sulfonyl fluoride

CAS: 42447-68-7
Molecular Formula C25H17FN6O4S
Molecular Weight 516.1016 g/mol
LogP 4.3
Topological Polar Surface Area 169.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
Rotatable Bonds 6
Exact Mass 516.1016
Monoisotopic Mass 516.1016
Heavy Atoms 37
Complexity 932.0

Chemical Identifiers

CAS Number 42447-68-7
SMILES C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F)C(=O)C3=CC=C(C=C3)C4=NC5=NC=NC(=C5N4)N
InChIKey PTRUEFPCAGXHGV-UHFFFAOYSA-N

Product Overview

ethylenebismelamine (CAS 42447-68-7), with molecular formula C25H17FN6O4S and molecular weight 516.1016 g/mol. IUPAC: 4-[[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]carbamoyl]benzenesulfonyl fluoride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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