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(-)-Pseudoephedrine
CAS: 321-97-1 | C10H15NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
321-97-1
Molecular Formula:
C10H15NO
Molecular Mass:
165.24 g/mol
Names and Synonyms:
(-)-Pseudoephedrine
Benzenemethanol, α-[(1R)-1-(methylamino)ethyl]-, (αR)-
Pseudoephedrine, (-)-
Benzenemethanol, α-[1-(methylamino)ethyl]-, [R-(R*,R*)]-
(αR)-α-[(1R)-1-(Methylamino)ethyl]benzenemethanol
D-(-)-Pseudoephedrine
(-)-Pseudoephedrine
l-Pseudoephedrine
(-)-ψ-Ephedrine
(1R,2R)-Ephedrine
(-)-threo-Ephedrine
(1R,2R)-Pseudoephedrine
(1R,2R)-(-)-Pseudoephedrine
D-Pseudoephedrine
(-)-(1R,2R)-Pseudoephedrine
CPDD 0049
l-(1R,2R)-Pseudoephedrine
(R,R)-Pseudoephedrine
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+/m1/s1
Key Properties
Melting Point
119 °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 | |
| 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+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KWGRBVOPPLSCSI-SCZZXKLOSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | (-)-Pseudoephedrine | 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 |
