1187594-14-4

Name 3-Azetidineacetonitrile, 1-(cyclopropylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-
CAS 1187594-14-4
Molecular Formula C17H17N7O2S
Molecular Weight 383.43
MOL File 1187594-14-4.mol
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Chemical Properties

density  1.69±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO : 250 mg/mL (652.01 mM; Need ultrasonic)
form  Solid
pka 11.66±0.50(Predicted)
color  White to off-white
InChI InChI=1S/C17H17N7O2S/c18-5-4-17(9-23(10-17)27(25,26)13-1-2-13)24-8-12(7-22-24)15-14-3-6-19-16(14)21-11-20-15/h3,6-8,11,13H,1-2,4,9-10H2,(H,19,20,21)
InChIKey RVOUEXFKIYNODQ-UHFFFAOYSA-N
SMILES N1(S(C2CC2)(=O)=O)CC(N2C=C(C3N=CN=C4NC=CC4=3)C=N2)(CC#N)C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319
Precautionary statements  P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Hazard Information

Spectrum Detail

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