796874-99-2

Name (2S)-1-[[(2S)-1-(1-Oxo-4-phenylbutyl)-2-pyrrolidinyl]carbonyl]-2-pyrrolidinecarbonitrile
CAS 796874-99-2
Molecular Formula C20H25N3O2
MDL Number MFCD22201003
Molecular Weight 339.43
MOL File 796874-99-2.mol
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Chemical Properties

Boiling point  605.5±55.0 °C(Predicted)
density  1.19±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in DMSO
form  oil
pka -1.98±0.40(Predicted)
color  white to light brown
InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
InChIKey SPXFAUXQZWJGCJ-ROUUACIJSA-N
SMILES N1(C([C@@H]2CCCN2C(=O)CCCC2=CC=CC=C2)=O)CCC[C@H]1C#N

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

Hazard Information

Spectrum Detail

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