Back to Search
Tyramine
CAS: 51-67-2 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-67-2
Molecular Formula:
C8H11NO
Molecular Weight:
137.18199999999996 g/mol
Names and Synonyms:
Tyramine
2-(4-Hydroxyphenyl)ethanamine
NSC 249188
p-Hydroxy-β-phenylethylamine
2-(4′-Hydroxyphenyl)ethylamine
β-(4-Hydroxyphenyl)ethylamine
Tyramin
p-Hydroxyphenylethylamine
4-Hydroxy-β-phenylethylamine
2-(4-Hydroxyphenyl)ethylamine
p-(2-Aminoethyl)phenol
Benzeneethanamine, 4-hydroxy-
4-Hydroxyphenylethylamine
Uteramine
Tyrosamine
p-Tyramine
Tyramine
Tocosine
Systogene
2-(p-Hydroxyphenyl)ethylamine
α-(4-Hydroxyphenyl)-β-aminoethane
4-Hydroxyphenethylamine
p-Hydroxyphenethylamine
p-β-Aminoethylphenol
4-(2-Aminoethyl)phenol
Phenol, p-(2-aminoethyl)-
Phenol, 4-(2-aminoethyl)-
Identifiers:
SMILES:
NCCc1ccc(O)cc1
InChI:
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.18199999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.8934 | RDKit |
| molecular_mass | 137.18 g/mol | Legacy Database |
| cas-boiling-point | 166 °C @ Press: 2 Torr None | Legacy Database |
| cas-canonical-smile | OC1=CC=C(C=C1)CCN None | Legacy Database |
| cas-inchi | InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=DZGWFCGJZKJUFP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 164-165 °C None | Legacy Database |
| cas-name | Tyramine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.86520000000002 | RDKit |
