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Molecule
(-)-Phenylethanolamine
CAS: 2549-14-6 · C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2549-14-6
- Molecular Formula
- C8H11NO
- Molecular Mass
- 137.18 g/mol
Identifiers
CAS Registry Number
2549-14-6
SMILES
NC[C@H](O)c1ccccc1
InChI Key
ULSIYEODSMZIPX-QMMMGPOBSA-N
InChI
InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m0/s1
Names and Synonyms
- (-)-Phenylethanolamine Synonym
- Benzenemethanol, α-(aminomethyl)-, (αR)- Synonym
- Benzyl alcohol, α-(aminomethyl)-, (R)-(-)- Synonym
- Benzenemethanol, α-(aminomethyl)-, (R)- Synonym
- (αR)-α-(Aminomethyl)benzenemethanol Synonym
- D-(-)-β-Phenylethanolamine Synonym
- (-)-β-Hydroxyphenethylamine Synonym
- (-)-α-(Aminomethyl)benzenemethanol Synonym
- (-)-2-Amino-1-phenylethanol Synonym
- (R)-2-Amino-1-phenylethanol Synonym
- (R)-α-(Aminomethyl)benzenemethanol Synonym
- (R)-(-)-1-Phenyl-2-aminoethanol Synonym
- (-)-(R)-2-Amino-1-phenylethanol Synonym
- (R)-1-Phenyl-2-aminoethanol Synonym
- (R)-α-(Aminomethyl)benzenemethanol Synonym
- (R)-(-)-2-Amino-1-phenylethanol Synonym
- ((R)-2-Hydroxy-2-phenylethyl)amine Synonym
- (-)-Phenylethanolamine Synonym
- (1R)-2-Amino-1-phenylethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.18 g/mol | CAS Common Chemistry |
| 137.182 g/mol | RDKit | |
| 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/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ULSIYEODSMZIPX-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 58-62 °C | CAS Common Chemistry |
| Name | (-)-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 |
| 0.6787 | RDKit | |
| Molar Refractivity | 40.456200000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 137.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 137.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO.
