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Molecule
Pseudoephedrine Hydrochloride
CAS: 345-78-8 · C10H16ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 345-78-8
- Molecular Formula
- C10H16ClNO
- Molecular Mass
- 201.70 g/mol
Identifiers
CAS Registry Number
345-78-8
SMILES
CN[C@@H](C)[C@@H](O)c1ccccc1.Cl
InChI Key
BALXUFOVQVENIU-KXNXZCPBSA-N
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
Names and Synonyms
- Pseudoephedrine Hydrochloride Synonym
- Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride (1:1), (αS)- Synonym
- Pseudoephedrine, hydrochloride, (+)- Synonym
- Pseudoephedrine hydrochloride Synonym
- Benzenemethanol, α-[1-(methylamino)ethyl]-, hydrochloride, [S-(R*,R*)]- Synonym
- Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (αS)- Synonym
- d-[α-(1-Methylamino)ethyl]benzyl alcohol hydrochloride Synonym
- d-Pseudoephedrine hydrochloride Synonym
- L-(+)-Pseudoephedrine hydrochloride Synonym
- (+)-Pseudoephedrine hydrochloride Synonym
- 1S,2S-(+)-Pseudoephedrine hydrochloride Synonym
- Sudafed Synonym
- Novafed Synonym
- (1S,2S)-(+)-2-(Methylamino)-1-phenylpropan-1-ol hydrochloride Synonym
- CPDD 0050 Synonym
- d-(1S,2S)-Pseudoephedrine hydrochloride Synonym
- Sinufed Synonym
- Galpseud Synonym
- Otrinol Synonym
- Rhinalair Synonym
- Symptom 2 Synonym
- NSC 106567 Synonym
- NSC 33634 Synonym
- Decongess SR Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.70 g/mol | CAS Common Chemistry |
| 201.697 g/mol | RDKit | |
| 201.694 g/mol | chempirical lib | |
| 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 |
| 1.7497 | RDKit | |
| Molar Refractivity | 57.17150000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 201.092041812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 201.70 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16ClNO.
