1333210-07-3

Name Benzonitrile, 4-[[(1R,2R)-2-[(3R)-3-aMino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloro-
CAS 1333210-07-3
Molecular Formula C21H22ClN3O
Molecular Weight 367.87
MOL File 1333210-07-3.mol
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Chemical Properties

Boiling point  534.6±50.0 °C(Predicted)
density  1.30±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  insoluble in H2O; ≥106.4 mg/mL in EtOH; ≥125.4 mg/mL in DMSO
form  Solid
pka 10.95±0.20(Predicted)
color  Light yellow to yellow
InChIKey RLKRLNQEXBPQGQ-OZOXKJRCSA-N
SMILES Clc1c(ccc(c1)C#N)O[C@H]2[C@@H](Cc4c2cccc4)N3C[C@@H](CCC3)N

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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