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Ici 162,846
[CAS# 84545-30-2]

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Identification
Name Ici 162,846
Synonyms 5-[3-[[Amino-(2,2,2-Trifluoroethylimino)Methyl]Amino]-1-Pyrazolyl]Pentanamide; 5-[3-[(N'-(2,2,2-Trifluoroethyl)Carbamimidoyl)Amino]Pyrazol-1-Yl]Valeramide; Ncgc00024812-02
Molecular Structure CAS#: 84545-30-2, Ici 162,846
Molecular Formula C11H17F3N6O
Molecular Weight 306.29
CAS Registry Number 84545-30-2
SMILES C1=CC(=N[N]1CCCCC(=O)N)NC(=NCC(F)(F)F)N
InChI 1S/C11H17F3N6O/c12-11(13,14)7-17-10(16)18-9-4-6-20(19-9)5-2-1-3-8(15)21/h4,6H,1-3,5,7H2,(H2,15,21)(H3,16,17,18,19)
InChIKey ALCSGJCIESECFD-UHFFFAOYSA-N
Properties
Density 1.451g/cm3 (Cal.)
Boiling point 500.433°C at 760 mmHg (Cal.)
Flash point 256.453°C (Cal.)
solubility Soluble in ethanol and to 100 mM in DMSO
Market Analysis Reports
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