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Meta-Tyramine
CAS: 588-05-6 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
588-05-6
Molecular Formula:
C8H11NO
Molecular Weight:
137.18199999999996 g/mol
Names and Synonyms:
Meta-Tyramine
2-(3-Hydroxyphenyl)ethylamine
m-Tyramine
m-Hydroxyphenethylamine
3-Hydroxyphenylethylamine
3-Hydroxyphenethylamine
m-Tyramine
Metatyramine
3-(2-Aminoethyl)phenol
Phenol, m-(2-aminoethyl)-
Phenol, 3-(2-aminoethyl)-
Identifiers:
SMILES:
NCCc1cccc(O)c1
InChI:
InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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 |
| wikipedia_url | https://en.wikipedia.org/wiki/Meta-Tyramine None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC(=C1)CCN None | Legacy Database |
| cas-inchi | InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GHFGJTVYMNRGBY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | m-Tyramine None | Legacy Database |
| wikipedia-name | meta-Tyramine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.86520000000002 | RDKit |
