Metakelfin
[CAS# 81247-66-7]

Identification

• Name: Metakelfin
• Synonyms: 4-Amino-N-(6-Methoxypyridazin-3-Yl)Benzenesulfonamide; 5-(4-Chlorophenyl)-6-Ethyl-Pyrimidine-2,4-Diamine; 4-Amino-N-(6-Methoxy-3-Pyridazinyl)Benzenesulfonamide; 5-(4-Chlorophenyl)-6-Ethylpyrimidine-2,4-Diamine; [2-Amino-5-(4-Chlorophenyl)-6-Ethyl-Pyrimidin-4-Yl]Amine; 4-Amino-N-(6-Methoxypyridazin-3-Yl)Benzenesulfonamide
• Molecular Formula: C₂₃H₂₅ClN₈O₃S
• Molecular Weight: 529.02
• CAS Registry Number: 81247-66-7
• SMILES: C2=C(C1=C(N=C(N=C1N)N)CC)C=CC(=C2)Cl.C4=C([S](=O)(=O)NC3=NN=C(OC)C=C3)C=CC(=C4)N
• InChI: 1S/C12H13ClN4.C11H12N4O3S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h3-6H,2H2,1H3,(H4,14,15,16,17);2-7H,12H2,1H3,(H,13,15)
• InChIKey: PEAOTGMAUFSVOA-UHFFFAOYSA-N

Properties

• Boiling point: 564.9°C at 760 mmHg (Cal.)
• Flash point: 295.4°C (Cal.)