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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 Mass:
137.18 g/mol
Names and Synonyms:
Tyramine
Phenol, 4-(2-aminoethyl)-
Phenol, p-(2-aminoethyl)-
4-(2-Aminoethyl)phenol
p-β-Aminoethylphenol
p-Hydroxyphenethylamine
4-Hydroxyphenethylamine
α-(4-Hydroxyphenyl)-β-aminoethane
2-(p-Hydroxyphenyl)ethylamine
Systogene
Tocosine
Tyramine
p-Tyramine
Tyrosamine
Uteramine
4-Hydroxyphenylethylamine
Benzeneethanamine, 4-hydroxy-
p-(2-Aminoethyl)phenol
2-(4-Hydroxyphenyl)ethylamine
4-Hydroxy-β-phenylethylamine
p-Hydroxyphenylethylamine
Tyramin
β-(4-Hydroxyphenyl)ethylamine
2-(4′-Hydroxyphenyl)ethylamine
p-Hydroxy-β-phenylethylamine
NSC 249188
2-(4-Hydroxyphenyl)ethanamine
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
Key Properties
Boiling Point
166 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
164-165 °C
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 | 137.18 g/mol | CAS Common Chemistry |
| 137.18199999999996 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Boiling Point | 166 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DZGWFCGJZKJUFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-165 °C | CAS Common Chemistry |
| Name | Tyramine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.8934 | RDKit |
| Molar Refractivity | 40.86520000000002 | RDKit |
