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Pseudoephedrine
CAS: 90-82-4 | C10H15NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
90-82-4
Molecular Formula:
C10H15NO
Molecular Mass:
165.24 g/mol
Names and Synonyms:
Pseudoephedrine
Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, (αS)-
Pseudoephedrine, (+)-
Pseudoephedrine
Benzenemethanol, α-[1-(methylamino)ethyl]-, [S-(R*,R*)]-
(αS)-α-[(1S)-1-(Methylamino)ethyl]benzenemethanol
d-ψ-Ephedrine
ψ-Ephedrine
d-Isoephedrine
L(+)-ψ-Ephedrine
L-(+)-Pseudoephedrine
ψ-Ephedrine, (+)-
(+)-Pseudoephedrine
d-Pseudoephedrine
trans-Ephedrine
Isoephedrine
(+)-(1S,2S)-Pseudoephedrine
(1S,2S)-Ephedrine
(+)-threo-Ephedrine
(1S,2S)-Pseudoephedrine
(+)-ψ-Ephedrine
(1S,2S)-(+)-Pseudoephedrine
Lopac E 3250
(1S,2S)-2-(Methylamino)-1-phenylpropan-1-ol
(S,S)-2-Methylamino-1-phenylpropan-1-ol
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
130 °C @ Press: 16 Torr
CAS Common Chemistry
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 | |
| Boiling Point | 130 °C @ Press: 16 Torr | 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-WCBMZHEXSA-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 |
