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Molecule
(+)-Phenylethylamine
CAS: 3886-69-9 · C8H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3886-69-9
- Molecular Formula
- C8H11N
- Molecular Mass
- 121.18 g/mol
Identifiers
CAS Registry Number
3886-69-9
SMILES
C[C@@H](N)c1ccccc1
InChI Key
RQEUFEKYXDPUSK-SSDOTTSWSA-N
InChI
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
Names and Synonyms
- (+)-Phenylethylamine Synonym
- Benzenemethanamine, α-methyl-, (αR)- Synonym
- Benzylamine, α-methyl-, (R)-(+)- Synonym
- Benzenemethanamine, α-methyl-, (R)- Synonym
- Benzylamine, α-methyl-, d- Synonym
- (αR)-α-Methylbenzenemethanamine Synonym
- (+)-α-Phenylethylamine Synonym
- (+)-α-Methylbenzylamine Synonym
- D-α-Methylbenzylamine Synonym
- D-(+)-α-Phenylethylamine Synonym
- (R)-α-Phenethylamine Synonym
- (R)-(+)-α-Phenylethylamine Synonym
- (+)-(R)-α-Phenylethylamine Synonym
- (+)-1-Phenylethylamine Synonym
- (+)-(R)-α-Methylbenzylamine Synonym
- d-1-Phenylethylamine Synonym
- (R)-α-Methylbenzenemethanamine Synonym
- D-Phenethylamine Synonym
- (+)-α-Phenethylamine Synonym
- R-(+)-Methylbenzylamine Synonym
- (+)-(R)-1-Phenylethylamine Synonym
- (R)-α-Phenylethylamine Synonym
- (R)-(+)-α-Phenethylamine Synonym
- D-(+)-1-Phenylethylamine Synonym
- D-α-Phenethylamine Synonym
- (+)-α-Methylbenzenemethanamine Synonym
- (+)-(R)-1-Phenethylamine Synonym
- (R)-Phenethylamine Synonym
- (R)-1-Amino-1-phenylethane Synonym
- (R)-(+)-1-Phenethylamine Synonym
- (+)-Phenylethylamine Synonym
- (+)-1-Amino-1-phenylethane Synonym
- (R)-1-Phenethylamine Synonym
- D-1-Phenylethylamine Synonym
- (R)-α-Aminoethylbenzene Synonym
- D-(+)-α-Methylbenzylamine Synonym
- (R)-(+)-1-Phenylethylamine Synonym
- (R)-(+)-1-Methylbenzylamine Synonym
- (R)-1-Phenylethanamine Synonym
- (R)-(+)-Phenethylamine Synonym
- (R)-1-Aminoethylbenzene Synonym
- (1R)-1-Phenyl-1-ethanamine Synonym
- (R)-Phenylethylamine Synonym
- (1R)-1-Phenylethanamine Synonym
- (R)-(+)-α-Methylbenzylamine Synonym
- (1R)-1-Phenylethylamine Synonym
- (R)-α-Methylbenzylamine Synonym
- (R)-1-Phenylethylamine Synonym
- (+)-[(1R)-1-Phenylethyl]amine Synonym
- (1R)-Phenylethylamine Synonym
- (R)-Phenylethylamine Synonym
- (R)-1-Phenyl-1-ethanamine Synonym
- (R)-(+)-Alpha-methylbenzylamine Synonym
- (R)-(+)-1-Phenylethanamine Synonym
- (+)-1-Phenethylamine Synonym
- (R)-Methylbenzylamine Synonym
- (1R)-1-Phenylethanamine Synonym
- (1R)-1-Phenylethan-1-amine Synonym
- (+)-1-Phenylethan-1-amine Synonym
- (R)-Alpha-methylbenzylamine Synonym
- R-(+)-Phenylethylamine Synonym
- R-(+)-Phenylethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.18 g/mol | CAS Common Chemistry |
| 121.18299999999995 g/mol | RDKit | |
| 121.183 g/mol | RDKit | |
| Boiling Point | 184-186 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RQEUFEKYXDPUSK-SSDOTTSWSA-N | CAS Common Chemistry |
| Melting Point | 142.5-145.5 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | (+)-Phenylethylamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.7063000000000001 | RDKit |
| 1.7063 | RDKit | |
| 1.69 | chempirical lib | |
| Molar Refractivity | 39.04440000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 121.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 121.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N.
