Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

1092578-46-5

Name 3-((3R,4S)-4-Methyl-3-(Methyl(7H-pyrrolo[2,3-d]pyriMidin-4-yl)aMino)piperidin-1-yl)-3-oxopropanenitrile
CAS 1092578-46-5
Molecular Formula C16H20N6O
MDL Number MFCD23160057
Molecular Weight 312.37
MOL File 1092578-46-5.mol

Chemical Properties

Melting point  >108°C (dec.)
density  1.296
storage temp.  Refrigerator
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
form  Solid
pka 6.04±0.60(Predicted)
color  Pale Yellow to Yellow
InChI InChI=1/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/s3
InChIKey UJLAWZDWDVHWOW-PZILLZCRNA-N
SMILES C(#N)CC(N1CC[C@H](C)[C@@H](N(C)C2=NC=NC3NC=CC=32)C1)=O |&1:7,9,r|

Safety Data

Symbol(GHS) 
GHS07,GHS08
Signal word  Danger
Hazard statements  H302-H360
Precautionary statements  P201-P202-P264-P270-P281-P301+P312-P308+P313-P330-P405-P501

Hazard Information

Supplier