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Molecule
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
Identifiers
CAS Registry Number
51-67-2
SMILES
NCCc1ccc(O)cc1
InChI Key
DZGWFCGJZKJUFP-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
Names and Synonyms
- Tyramine Common Name
- Phenol, 4-(2-aminoethyl)- Synonym
- Phenol, p-(2-aminoethyl)- Synonym
- 4-(2-Aminoethyl)phenol Synonym
- p-β-Aminoethylphenol Synonym
- p-Hydroxyphenethylamine Synonym
- 4-Hydroxyphenethylamine Synonym
- α-(4-Hydroxyphenyl)-β-aminoethane Synonym
- 2-(p-Hydroxyphenyl)ethylamine Synonym
- Systogene Synonym
- Tocosine Synonym
- Tyramine Synonym
- p-Tyramine Synonym
- Tyrosamine Synonym
- Uteramine Synonym
- 4-Hydroxyphenylethylamine Synonym
- Benzeneethanamine, 4-hydroxy- Synonym
- p-(2-Aminoethyl)phenol Synonym
- 2-(4-Hydroxyphenyl)ethylamine Synonym
- 4-Hydroxy-β-phenylethylamine Synonym
- p-Hydroxyphenylethylamine Synonym
- Tyramin Synonym
- β-(4-Hydroxyphenyl)ethylamine Synonym
- 2-(4′-Hydroxyphenyl)ethylamine Synonym
- p-Hydroxy-β-phenylethylamine Synonym
- NSC 249188 Synonym
- 2-(4-Hydroxyphenyl)ethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.18199999999996 g/mol | RDKit | |
| 137.182 g/mol | RDKit | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 137.084063972 g/mol | RDKit |
| Boiling Point | 166 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
