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(+)-Phenylethylamine
CAS: 3886-69-9 | C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3886-69-9
Molecular Formula:
C8H11N
Molecular Weight:
121.18299999999995 g/mol
Names and Synonyms:
(+)-Phenylethylamine
Benzenemethanamine, α-methyl-, (αR)-
Benzylamine, α-methyl-, (R)-(+)-
Benzenemethanamine, α-methyl-, (R)-
Benzylamine, α-methyl-, d-
(αR)-α-Methylbenzenemethanamine
(+)-α-Phenylethylamine
(+)-α-Methylbenzylamine
D-α-Methylbenzylamine
D-(+)-α-Phenylethylamine
(R)-α-Phenethylamine
(R)-(+)-α-Phenylethylamine
(+)-(R)-α-Phenylethylamine
(+)-1-Phenylethylamine
(+)-(R)-α-Methylbenzylamine
d-1-Phenylethylamine
(R)-α-Methylbenzenemethanamine
D-Phenethylamine
(+)-α-Phenethylamine
R-(+)-Methylbenzylamine
(+)-(R)-1-Phenylethylamine
(R)-α-Phenylethylamine
(R)-(+)-α-Phenethylamine
D-(+)-1-Phenylethylamine
D-α-Phenethylamine
(+)-α-Methylbenzenemethanamine
(+)-(R)-1-Phenethylamine
(R)-Phenethylamine
(R)-1-Amino-1-phenylethane
(R)-(+)-1-Phenethylamine
(+)-Phenylethylamine
(+)-1-Amino-1-phenylethane
(R)-1-Phenethylamine
D-1-Phenylethylamine
(R)-α-Aminoethylbenzene
D-(+)-α-Methylbenzylamine
(R)-(+)-1-Phenylethylamine
(R)-(+)-1-Methylbenzylamine
(R)-1-Phenylethanamine
(R)-(+)-Phenethylamine
(R)-1-Aminoethylbenzene
(1R)-1-Phenyl-1-ethanamine
(R)-Phenylethylamine
(1R)-1-Phenylethanamine
(R)-(+)-α-Methylbenzylamine
(1R)-1-Phenylethylamine
(R)-α-Methylbenzylamine
(R)-1-Phenylethylamine
(+)-[(1R)-1-Phenylethyl]amine
(1R)-Phenylethylamine
(R)-Phenylethylamine
(R)-1-Phenyl-1-ethanamine
(R)-(+)-Alpha-methylbenzylamine
(R)-(+)-1-Phenylethanamine
(+)-1-Phenethylamine
(R)-Methylbenzylamine
(1R)-1-Phenylethanamine
(1R)-1-Phenylethan-1-amine
(+)-1-Phenylethan-1-amine
(R)-Alpha-methylbenzylamine
R-(+)-Phenylethylamine
R-(+)-Phenylethylamine
Identifiers:
SMILES:
C[C@@H](N)c1ccccc1
InChI:
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
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 | 121.18299999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 121.08914935199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7063000000000001 | RDKit |
| molecular_mass | 121.18 g/mol | Legacy Database |
| cas-boiling-point | 184-186 °C None | Legacy Database |
| cas-canonical-smile | NC(C=1C=CC=CC1)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=RQEUFEKYXDPUSK-SSDOTTSWSA-N None | Legacy Database |
| cas-melting-point | 142.5-145.5 °C @ Solvent: Ethyl acetate None | Legacy Database |
| cas-name | (+)-Phenylethylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.04440000000001 | RDKit |
