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(+)-Ephedrine Hydrochloride
CAS: 24221-86-1 | C10H16ClNO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
24221-86-1
Molecular Formula:
C10H16ClNO
Molecular Mass:
201.70 g/mol
Names and Synonyms:
(+)-Ephedrine Hydrochloride
Benzenemethanol, α-[(1R)-1-(methylamino)ethyl]-, hydrochloride (1:1), (αS)-
Ephedrine, hydrochloride, (+)-
Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [S-(R*,S*)]-
Benzenemethanol, α-[(1R)-1-(methylamino)ethyl]-, hydrochloride, (αS)-
D-(+)-Ephedrine hydrochloride
d-Ephedrine hydrochloride
(+)-Ephedrine hydrochloride
(1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride
CPDD 0048
(1S,2R)-(+)-Ephedrine hydrochloride
(1S,2R)-Ephedrine hydrochloride
(1S,2R)-(+)-Ephedrine hydrochloride
(1S,2R)-(+)-Ephedrinium hydrochloride
(+)-(1S,2R)-Ephedrine hydrochloride
Identifiers:
SMILES:
CN[C@H](C)[C@@H](O)c1ccccc1.Cl
InChI:
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10-;/m1./s1
Key Properties
Melting Point
181-182 °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 | 201.70 g/mol | CAS Common Chemistry |
| 201.697 g/mol | RDKit | |
| 201.092041812 g/mol | RDKit | |
| Canonical SMILES | Cl.OC(C=1C=CC=CC1)C(NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BALXUFOVQVENIU-GHXDPTCOSA-N | CAS Common Chemistry |
| Melting Point | 181-182 °C | CAS Common Chemistry |
| Name | (+)-Ephedrine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.7496999999999998 | RDKit |
| Molar Refractivity | 57.17150000000004 | RDKit |
