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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
Names and Synonyms:
Ephedrine
Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, (αR)-
Ephedrine, (-)-
Benzenemethanol, α-[1-(methylamino)ethyl]-, [R-(R*,S*)]-
(αR)-α-[(1S)-1-(Methylamino)ethyl]benzenemethanol
Ephedrine
(1R,2S)-1-Hydroxy-2-(methylamino)-1-phenylpropane
Ephedrin
(-)-Ephedrine
(-)-(1R,2S)-Ephedrin
1(R),2(S)-erythro-(-)-Ephedrine
(-)-Ephedrin
(-)-erythro-Ephedrine
l-Ephedrine
L-erythro-2-(Methylamino)-1-phenylpropan-1-ol
L-Ephedrine
(1R,2S)-Ephedrine
NSC 170951
NSC 8971
(1R,2S)-(-)-Ephedrine
Xenadrine
(1R,2S)-2-(Methylamino)-1-phenyl-1-propanol
Efedrina
Ephedsol
Identifiers:
SMILES:
CN[C@@H](C)[C@H](O)c1ccccc1
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
Key Properties
Boiling Point
255 °C
CAS Common Chemistry
Melting Point
34 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.24 g/mol | CAS Common Chemistry |
| 165.236 g/mol | RDKit | |
| 165.1153641 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 |
| Molar Refractivity | 49.92350000000003 | RDKit |
