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Pseudoephedrine Hydrochloride
CAS: 345-78-8 | C10H16ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
345-78-8
Molecular Formula:
C10H16ClNO
Molecular Mass:
201.70 g/mol
Names and Synonyms:
Pseudoephedrine Hydrochloride
Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride (1:1), (αS)-
Pseudoephedrine, hydrochloride, (+)-
Pseudoephedrine hydrochloride
Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [S-(R*,R*)]-
Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (αS)-
d-[α-(1-Methylamino)ethyl]benzyl alcohol hydrochloride
d-Pseudoephedrine hydrochloride
L-(+)-Pseudoephedrine hydrochloride
(+)-Pseudoephedrine hydrochloride
1S,2S-(+)-Pseudoephedrine hydrochloride
Sudafed
Novafed
(1S,2S)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride
CPDD 0050
d-(1S,2S)-Pseudoephedrine hydrochloride
Sinufed
Galpseud
Otrinol
Rhinalair
Symptom 2
NSC 106567
NSC 33634
Decongess SR
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+;/m0./s1
Key Properties
Melting Point
190-191 °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+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BALXUFOVQVENIU-KXNXZCPBSA-N | CAS Common Chemistry |
| Melting Point | 190-191 °C | CAS Common Chemistry |
| Name | Pseudoephedrine 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 |
