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Molecule
(±)-Hydroxyephedrine
CAS: 365-26-4 · C10H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 365-26-4
- Molecular Formula
- C10H15NO2
- Molecular Mass
- 181.24 g/mol
Identifiers
CAS Registry Number
365-26-4
SMILES
CN[C@@H](C)[C@H](O)c1ccc(O)cc1
InChI Key
OXFGTKPPFSCSMA-ONRUVPORNA-N
InChI
InChI=1/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/s2
Names and Synonyms
- (±)-Hydroxyephedrine Common Name
- Benzenemethanol, 4-hydroxy-α-[(1R)-1-(methylamino)ethyl]-, (αS)-rel- Synonym
- Benzyl alcohol, p-hydroxy-α-[1-(methylamino)ethyl]- Synonym
- Benzenemethanol, 4-hydroxy-α-[1-(methylamino)ethyl]-, (R*,S*)- Synonym
- Ephedrine, p-hydroxy- Synonym
- rel-(αS)-4-Hydroxy-α-[(1R)-1-(methylamino)ethyl]benzenemethanol Synonym
- p-Hydroxyephedrine Synonym
- Methylsympatol Synonym
- Suprifen Synonym
- 4-Hydroxyephedrine Synonym
- Hydroxyephedrine Synonym
- 1-(4-Hydroxyphenyl)-1-hydroxy-2-methylaminopropane Synonym
- Oxyephedrine Synonym
- Supriphen Synonym
- Oxilofrine Synonym
- dl-p-Hydroxyephedrine Synonym
- (±)-Hydroxyephedrine Synonym
- (±)-p-Hydroxyephedrine Synonym
- (±)-p-hydroxyephedrine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.24 g/mol | CAS Common Chemistry |
| 181.23499999999999 g/mol | RDKit | |
| 181.235 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(C=C1)C(O)C(NC)C | CAS Common Chemistry |
| InChI | InChI=1/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=OXFGTKPPFSCSMA-ONRUVPORNA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | (±)-Hydroxyephedrine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.489999999999995 Ų | RDKit |
| 52.49 Ų | RDKit | |
| LogP | 1.0334999999999996 | RDKit |
| 1.0335 | RDKit | |
| Molar Refractivity | 51.58830000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 181.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 181.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO2.
