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Molecule
Ephedrine
CAS: 299-42-3 · C10H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 299-42-3
- Molecular Formula
- C10H15NO
- Molecular Mass
- 165.24 g/mol
Identifiers
CAS Registry Number
299-42-3
SMILES
CN[C@@H](C)[C@H](O)c1ccccc1
InChI Key
KWGRBVOPPLSCSI-WPRPVWTQSA-N
InChI
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
Names and Synonyms
- Ephedrine Synonym
- Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, (αR)- Synonym
- Ephedrine, (-)- Synonym
- Benzenemethanol, α-[1-(methylamino)ethyl]-, [R-(R*,S*)]- Synonym
- (αR)-α-[(1S)-1-(Methylamino)ethyl]benzenemethanol Synonym
- Ephedrine Synonym
- (1R,2S)-1-Hydroxy-2-(methylamino)-1-phenylpropane Synonym
- Ephedrin Synonym
- (-)-Ephedrine Synonym
- (-)-(1R,2S)-Ephedrin Synonym
- 1(R),2(S)-erythro-(-)-Ephedrine Synonym
- (-)-Ephedrin Synonym
- (-)-erythro-Ephedrine Synonym
- l-Ephedrine Synonym
- L-erythro-2-(Methylamino)-1-phenylpropan-1-ol Synonym
- L-Ephedrine Synonym
- (1R,2S)-Ephedrine Synonym
- NSC 170951 Synonym
- NSC 8971 Synonym
- (1R,2S)-(-)-Ephedrine Synonym
- Xenadrine Synonym
- (1R,2S)-2-(Methylamino)-1-phenyl-1-propanol Synonym
- Efedrina Synonym
- Ephedsol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.24 g/mol | CAS Common Chemistry |
| 165.236 g/mol | RDKit | |
| Boiling Point | 255 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=1C=CC=CC1)C(NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KWGRBVOPPLSCSI-WPRPVWTQSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | Ephedrine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.3278999999999999 | RDKit |
| 1.3279 | RDKit | |
| Molar Refractivity | 49.92350000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 165.1153641 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 = 165.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO.
