Tyrosine (data page)

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 a		 PubChem: 71098 (D)a, 1153 (L)a
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
- Masses of main fragments:
GMD MS Spectrum
Phase behavior
Solid properties
ρsolid: 1.456 g.cm−3
Tm: 343 °C
Liquid properties
Gas properties
Hazard properties
MSDS N/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard codeHealth (blue): no hazard codeReactivity (yellow): no hazard codeSpecial hazards (white): no code
Flash point
- N/A
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -1.87pI: 5.66pKa: 2.24, 9.04, 10.10Tautomers: 2Hydrogen bond: donor - 3;  acceptor - 4
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References
  1. ^a 200-460-4 EINECS for Tyrosine
  2. ^a CID 71098 from PubChem
  3. ^a CID 1153 from PubChem
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