27244-64-0

Name LEVODOPA RELATED COMPOUND A (50 MG) (3-(3,4,6-TRIHYDROXYPHENYL)-ALANINE)
CAS 27244-64-0
Molecular Formula C9H11NO5
Molecular Weight 213.19
MOL File 27244-64-0.mol

Chemical Properties

Melting point  >190°C (dec.)
Boiling point  515.2±38.0 °C(Predicted)
density  1.606±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  Aqueous Acid (Slightly, Sonicated), Water (Slightly, Heated, Sonicated)
form  neat
pka 2.34±0.25(Predicted)
color  Brown to Black
Stability: Air Sensitive, Hygroscopic
Major Application pharmaceutical (small molecule)
InChI 1S/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)/t5-/m0/s1
InChIKey YLKRUSPZOTYMAT-YFKPBYRVSA-N
SMILES [N+H3][C@@H](Cc1c(cc(c(c1)O)O)O)C(=O)[O-]

Safety Data

WGK Germany  WGK 3
HS Code  2922504500
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Skin Irrit. 2

Hazard Information

Supplier