1050477-45-6

Name 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CAS 1050477-45-6
EINECS(EC#) 810-200-7
Molecular Formula C21H21N3O4
MDL Number MFCD32205587
Molecular Weight 379.41
MOL File 1050477-45-6.mol
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Chemical Properties

Boiling point  523.0±50.0 °C(Predicted)
density  1.32±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
pka 5.61±0.40(Predicted)
InChI InChI=1S/C21H21N3O4/c1-5-28-20-18-17(14-7-6-13(9-22)8-15(14)27-4)16(21(25)26)12(3)24-19(18)11(2)10-23-20/h6-8,10,17,24H,5H2,1-4H3,(H,25,26)
InChIKey CTEQWCKBTWAWIH-UHFFFAOYSA-N
SMILES N1C2=C(C(OCC)=NC=C2C)C(C2=CC=C(C#N)C=C2OC)C(C(O)=O)=C1C
LogP 3.84 at 25℃

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)Skull and Crossbones (GHS06)
GHS08,GHS09,GHS06
Signal word  Danger
Hazard statements  H301-H373-H360-H411
Precautionary statements  P264-P270-P301+P310-P321-P330-P405-P501-P260-P314-P501
REACH Registrations Active

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