2212021-80-0

Name 1H-Indole-2-carboxamide, 1-(cyanomethyl)-N-methyl-N-phenyl-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-
CAS 2212021-80-0
Molecular Formula C25H27N3O2
Molecular Weight 401.5
MOL File 2212021-80-0.mol
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Chemical Properties

Boiling point  604.1±55.0 °C(Predicted)
density  1.16±0.1 g/cm3(Predicted)
pka 0.45±0.50(Predicted)
InChI InChI=1S/C25H27N3O2/c1-25(2)17-19(11-14-30-25)18-9-10-22-20(15-18)16-23(28(22)13-12-26)24(29)27(3)21-7-5-4-6-8-21/h4-10,15-16,19H,11,13-14,17H2,1-3H3/t19-/m0/s1
InChIKey XWHYJFBCSSJIQV-IBGZPJMESA-N
SMILES N1(CC#N)C2=C(C=C([C@H]3CCOC(C)(C)C3)C=C2)C=C1C(N(C)C1=CC=CC=C1)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338

Hazard Information

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