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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 Mass:
137.18 g/mol
Names and Synonyms:
Meta-Tyramine
Phenol, 3-(2-aminoethyl)-
Phenol, m-(2-aminoethyl)-
3-(2-Aminoethyl)phenol
Metatyramine
m-Tyramine
3-Hydroxyphenethylamine
3-Hydroxyphenylethylamine
m-Hydroxyphenethylamine
m-Tyramine
2-(3-Hydroxyphenyl)ethylamine
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.18199999999996 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Meta-Tyramine | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GHFGJTVYMNRGBY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | m-Tyramine | CAS Common Chemistry |
| meta-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 |
