2454397-98-7

Name 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-, 1,1-dimethylethyl ester
CAS 2454397-98-7
Molecular Formula C18H20Cl2FN5O2
MDL Number MFCD34471585
Molecular Weight 428.29
MOL File 2454397-98-7.mol

Chemical Properties

Boiling point  533.3±50.0 °C(Predicted)
density  1.435±0.06 g/cm3(Predicted)
pka 1.31±0.30(Predicted)
InChI InChI=1S/C18H20Cl2FN5O2/c1-18(2,3)28-17(27)26-9-4-5-10(26)8-25(7-9)15-11-6-22-14(19)12(21)13(11)23-16(20)24-15/h6,9-10H,4-5,7-8H2,1-3H3
InChIKey HZPQHQKQIQDTTN-UHFFFAOYSA-N
SMILES C12N(C(OC(C)(C)C)=O)C(CC1)CN(C1N=C(Cl)N=C3C(F)=C(Cl)N=CC3=1)C2

Safety Data

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

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