63442-81-9

Name Dityrosine
CAS 63442-81-9
Molecular Formula C18H20N2O6
MDL Number MFCD32201023
Molecular Weight 360.37
MOL File 63442-81-9.mol

Chemical Properties

Melting point  136-140 °C
Boiling point  622.9±55.0 °C(Predicted)
density  1.455±0.06 g/cm3(Predicted)
storage temp.  Store at 4°C, sealed storage, away from moisture and light
solubility  Ethanol: 10 mg/ml
form  Solid
pka 1.94±0.20(Predicted)
color  White to off-white
InChI InChI=1/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26)/t13-,14-/s3
InChIKey OQALFHMKVSJFRR-HCTHJJLONA-N
SMILES OC1=CC=C(C[C@H](N)C(=O)O)C=C1C1C(=CC=C(C[C@H](N)C(=O)O)C=1)O |&1:6,19,r|

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H319
Precautionary statements  P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501

Hazard Information

Supplier