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2-(2-Aminoethyl)Phenol
CAS: 2039-66-9 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2039-66-9
Molecular Formula:
C8H11NO
Molecular Mass:
137.18 g/mol
Names and Synonyms:
2-(2-Aminoethyl)Phenol
Phenol, 2-(2-aminoethyl)-
Phenol, o-(2-aminoethyl)-
2-(2-Aminoethyl)phenol
o-Tyramine
2-(2-Hydroxyphenyl)ethylamine
2-Hydroxyphenethylamine
2-(o-Hydroxyphenyl)ethylamine
o-Hydroxyphenethylamine
Identifiers:
SMILES:
NCCc1ccccc1O
InChI:
InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6,9H2
Key Properties
Melting Point
113-115 °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 | |
| Canonical SMILES | OC=1C=CC=CC1CCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5-6,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FMEVAQARAVDUNY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113-115 °C | CAS Common Chemistry |
| Name | 2-(2-Aminoethyl)phenol | 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 |
