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L-Tyrosine, Hydrochloride (1:1)
CAS: 16870-43-2 | C9H12ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16870-43-2
Molecular Formula:
C9H12ClNO3
Molecular Mass:
217.65 g/mol
Names and Synonyms:
L-Tyrosine, Hydrochloride (1:1)
L-Tyrosine, hydrochloride (1:1)
Tyrosine, hydrochloride, L-
L-Tyrosine, hydrochloride
Tyrosine hydrochloride
Tyrosine hydrogen chloride
(S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid hydrochloride
Identifiers:
SMILES:
Cl.N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChI:
InChI=1S/C9H11NO3.ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H/t8-;/m0./s1
Key Properties
Melting Point
249 °C (decomp)
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 | 217.65 g/mol | CAS Common Chemistry |
| 217.652 g/mol | RDKit | |
| 217.050570924 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO3.ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H/t8-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JJWFIVDAMOFNPS-QRPNPIFTSA-N | CAS Common Chemistry |
| Melting Point | 249 °C (decomp) | CAS Common Chemistry |
| Name | L-Tyrosine, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 0.7684000000000001 | RDKit |
| Molar Refractivity | 54.670000000000016 | RDKit |
