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SID 3712249 Structure

SID 3712249

Chemical Properties

Boiling point 669.0±55.0 °C(Predicted)
Density  1.39±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:4): 0.2 mg/ml
form  A crystalline solid
pka 8.83±0.30(Predicted)
color  Light yellow to yellow
InChI 1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
InChIKey SSWVPYMSHHEYAB-UHFFFAOYSA-N
SMILES NC1=C2C(C=C(N3CCCC3)N=C2N)=C(C#N)C(N4CCCC4)=N1

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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