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Phenylethanolamine
CAS: 7568-93-6 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7568-93-6
Molecular Formula:
C8H11NO
Molecular Mass:
137.18 g/mol
Names and Synonyms:
Phenylethanolamine
Benzenemethanol, α-(aminomethyl)-
Benzyl alcohol, α-(aminomethyl)-
α-(Aminomethyl)benzenemethanol
β-Phenylethanolamine
Bisnorephedrine
β-Hydroxyphenylethylamine
Benzeneethanamine, β-hydroxy-
2-Hydroxy-2-phenylethylamine
2-Phenyl-2-hydroxyethylamine
Phenylethanolamine
β-Hydroxyphenethylamine
β-Phenethanolamine
2-Amino-1-phenylethanol
α-(Aminomethyl)benzyl alcohol
Phenethanolamine
β-Hydroxy-β-phenylethylamine
1-Phenyl-2-aminoethanol
Apophedrin
2-Amino-1-phenyl-1-ethanol
1-Phenyl-1-hydroxy-2-aminoethane
(±)-Phenylethanolamine
DL-β-Hydroxy-β-phenethylamine
(±)-2-Amino-1-phenylethanol
dl-Phenylethanolamine
dl-β-Hydroxyphenylethylamine
(±)-α-Phenylglycinol
(±)-1-Phenylethanolamine
(±)-β-Hydroxyphenethylamine
1-Phenylethanolamine
rac-2-Amino-1-phenylethanol
NSC 46837
NSC 5021
(RS)-2-Amino-1-phenylethanol
Identifiers:
SMILES:
NCC(O)c1ccccc1
InChI:
InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
Key Properties
Boiling Point
160 °C
CAS Common Chemistry
Melting Point
56.5 °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 |
| 137.182 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylethanolamine | CAS Common Chemistry |
| Boiling Point | 160 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=1C=CC=CC1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ULSIYEODSMZIPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56.5 °C | CAS Common Chemistry |
| Name | (±)-Phenylethanolamine | CAS Common Chemistry |
| Phenylethanolamine | 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 | 0.6787000000000001 | RDKit |
| Molar Refractivity | 40.456200000000024 | RDKit |
