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Molecule
(-)-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
Identifiers
CAS Registry Number
321-97-1
SMILES
CN[C@H](C)[C@H](O)c1ccccc1
InChI Key
KWGRBVOPPLSCSI-SCZZXKLOSA-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+/m1/s1
Names and Synonyms
- (-)-Pseudoephedrine Common Name
- Benzenemethanol, α-[(1R)-1-(methylamino)ethyl]-, (αR)- Synonym
- Pseudoephedrine, (-)- Synonym
- Benzenemethanol, α-[1-(methylamino)ethyl]-, [R-(R*,R*)]- Synonym
- (αR)-α-[(1R)-1-(Methylamino)ethyl]benzenemethanol Synonym
- D-(-)-Pseudoephedrine Synonym
- (-)-Pseudoephedrine Synonym
- l-Pseudoephedrine Synonym
- (-)-ψ-Ephedrine Synonym
- (1R,2R)-Ephedrine Synonym
- (-)-threo-Ephedrine Synonym
- (1R,2R)-Pseudoephedrine Synonym
- (1R,2R)-(-)-Pseudoephedrine Synonym
- D-Pseudoephedrine Synonym
- (-)-(1R,2R)-Pseudoephedrine Synonym
- CPDD 0049 Synonym
- l-(1R,2R)-Pseudoephedrine Synonym
- (R,R)-Pseudoephedrine 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 | |
| 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 |
| 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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 165.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15NO.
