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Dl-Dopa
CAS: 63-84-3 | C9H11NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
63-84-3
Molecular Formula:
C9H11NO4
Molecular Mass:
197.19 g/mol
Names and Synonyms:
Dl-Dopa
Tyrosine, 3-hydroxy-
Alanine, 3-(3,4-dihydroxyphenyl)-, DL-
DL-Tyrosine, 3-hydroxy-
3-Hydroxytyrosine
(±)-3,4-Dihydroxyphenylalanine
DL-Dioxyphenylalanine
DL-3,4-Dihydroxyphenylalanine
DL-3,4-DOPA
DL-DOPA
(±)-DOPA
DL-Dihydroxyphenylalanine
3-(3,4-Dihydroxyphenyl)-DL-alanine
3,4-Dihydroxy-DL-phenylalanine
(±)-3-(3,4-Dihydroxyphenyl)alanine
3′,4′-Dihydroxyphenylalanine
(R,S)-DOPA
DL-β-(3,4-Dihydroxyphenyl)alanine
DL-3-Hydroxytyrosine
3,4-Dihydroxyphenylalanine
Hydrocaffeic acid, α-amino-
3-(3,4-Dihydroxyphenyl)alanine
Phenylalanine, 3,4-dihydroxy-
Benzenepropanoic acid, α-amino-3,4-dihydroxy-
β-(3,4-Dihydroxyphenyl)-α-alanine
2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid
DL-4,5-Dihydroxyphenylalanine
NSC 16940
DL-DOPA
Identifiers:
SMILES:
NC(Cc1ccc(O)c(O)c1)C(=O)O
InChI:
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
Key Properties
Melting Point
270 °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 | 197.19 g/mol | CAS Common Chemistry |
| 197.18999999999997 g/mol | RDKit | |
| 197.068807832 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC1=CC=C(O)C(O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=WTDRDQBEARUVNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 270 °C (decomp) | CAS Common Chemistry |
| Name | DL-DOPA | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 103.78000000000002 Ų | RDKit |
| LogP | 0.052200000000000135 | RDKit |
| Molar Refractivity | 49.08680000000002 | RDKit |
