3978-11-8

Name N'-formyl-L-Kynurenine
CAS 3978-11-8
Molecular Formula C11H12N2O4
MDL Number MFCD23135611
Molecular Weight 236.22
MOL File 3978-11-8.mol
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Chemical Properties

Melting point  162 °C (decomp)
Boiling point  563.4±50.0 °C(Predicted)
density  1.394±0.06 g/cm3(Predicted)
form  solid
pka 2.17±0.23(Predicted)
Major Application pharmaceutical small molecule
InChI InChI=1/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/s3
InChIKey BYHJHXPTQMMKCA-SBYBRXNCNA-N
SMILES C(O)(=O)[C@@H](N)CC(C1=CC=CC=C1NC=O)=O |&1:3,r|

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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