Netica Solution

The complete data for Tyrosine

General information

Chemical formula: C9H11NO3 
Molar mass: 181.19 g·mol-1
Systematic name:
(S)-2-Amino-3-(4-hydroxy-phenyl)-propanoic acid
Abbreviations: Y, Tyr
Synonyms:
none
Database data
SMILES: Oc1ccc(CC(N)C(=O)O)cc1
InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/f/h12H
 ATC: N/A
 CAS: 60-18-4
 DrugBank: N/A
 EINECS:
200-460-4
 PubChem: 71098 (D)
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
Phase behavior
Solid properties
ρsolid: 1.456 g.cm-3
Tm: 343 °C
Liquid properties
Gas properties
Hazard properties
MSDS N/A
Main hazards:
- N/A
NFPA 704

Flash point
- N/A
R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -1.87
pI: 5.66
pKa: 2.24, 9.04, 10.10
Tautomers: 2
Hydrogen bond: donor – 3;   acceptor [...]