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Tyrosine
CAS: 60-18-4 | C9H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60-18-4
Molecular Formula:
C9H11NO3
Molecular Mass:
181.19 g/mol
Names and Synonyms:
Tyrosine
L-Tyrosine
Tyrosine, L-
(-)-α-Amino-p-hydroxyhydrocinnamic acid
L(-)-β-(p-Hydroxyphenyl)alanine
L-(-)-Tyrosine
p-Tyrosine
Benzenepropanoic acid, α-amino-4-hydroxy-, (S)-
L-Phenylalanine, 4-hydroxy-
Tyrosine
L-p-Tyrosine
Tyr
4-(2-Amino-2-carboxyethyl)phenol
Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)-
β-(p-Hydroxyphenyl)alanine
(S)-α-Amino-4-hydroxybenzenepropanoic acid
L-Tyr
(S)-Tyrosine
NSC 82624
NSC 9973
(S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid
(2S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid
Therigon
H-L-Tyr-OH
L-4-Hydroxyphenylalanine
p-Hydroxyphenylalanine
Identifiers:
SMILES:
N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI:
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Key Properties
Melting Point
344 °C
CAS Common Chemistry
Density
1.46 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.19 g/mol | CAS Common Chemistry |
| 181.19099999999997 g/mol | RDKit | |
| 181.073893212 g/mol | RDKit | |
| Density | 1.46 g/cm³ | CAS Common Chemistry |
| 1.46 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tyrosine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OUYCCCASQSFEME-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 344 °C | CAS Common Chemistry |
| Name | L-Tyrosine | CAS Common Chemistry |
| Tyrosine | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | 0.3466 | RDKit |
| Molar Refractivity | 47.42200000000002 | RDKit |
