Back to Search
Molecule
(-)-Phenylephrine Hydrochloride
CAS: 61-76-7 · C9H14ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 61-76-7
- Molecular Formula
- C9H14ClNO2
- Molecular Mass
- 203.67 g/mol
Identifiers
CAS Registry Number
61-76-7
SMILES
CNC[C@H](O)c1cccc(O)c1.Cl
InChI Key
OCYSGIYOVXAGKQ-FVGYRXGTSA-N
InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
Names and Synonyms
- (-)-Phenylephrine Hydrochloride Common Name
- l-α-Hydroxy-β-methylamino-3-hydroxy-1-ethylbenzene hydrochloride Synonym
- Alcon Efrin Synonym
- Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1), (αR)- Synonym
- Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (-)- Synonym
- Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (R)- Synonym
- Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (αR)- Synonym
- Almefrin Synonym
- (-)-α-Hydroxy-β-(methylamino)ethyl-α-(3-hydroxybenzene)hydrochloride Synonym
- Isophrin hydrochloride Synonym
- Neophryn Synonym
- Sucraphen Synonym
- Synasal Synonym
- (-)-Phenylephrine hydrochloride Synonym
- l-Phenylephrine hydrochloride Synonym
- Metaoxedrine chloride Synonym
- Levophenylephrine hydrochloride Synonym
- Phenylephrine hydrochloride Synonym
- l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride Synonym
- l-1-(m-Hydroxyphenyl)-2-methylaminoethanol hydrochloride Synonym
- Neo-Synephrine hydrochloride Synonym
- Meta-Synephrine hydrochloride Synonym
- Adrianol Synonym
- Meta-Sympatol Synonym
- Oftalfrine Synonym
- Lexatol Synonym
- Metaoxedrine hydrochloride Synonym
- R-(-)-m-Synephrine hydrochloride Synonym
- Neo-Synesin 1 Synonym
- (R)-Phenylephrine hydrochloride Synonym
- Mydfrin Synonym
- Prefrin Synonym
- Decadron Synonym
- M-Sympatol Synonym
- Nostril Synonym
- Pyracort D Synonym
- Isophrin Synonym
- Ak-Dilate Synonym
- Ak-Nefrin Synonym
- Neosinesine Synonym
- Irifrin Synonym
- R-Phenylephrine hydrochloride Synonym
- (R)-3-(1-Hydroxy-2-(methylamino)ethyl)phenol hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.67 g/mol | CAS Common Chemistry |
| 203.66899999999998 g/mol | RDKit | |
| 203.669 g/mol | RDKit | |
| 203.666 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1=CC=CC(=C1)C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OCYSGIYOVXAGKQ-FVGYRXGTSA-N | CAS Common Chemistry |
| Melting Point | 142.5 °C | CAS Common Chemistry |
| Name | (-)-Phenylephrine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.489999999999995 Ų | RDKit |
| 52.49 Ų | RDKit | |
| LogP | 1.0668 | RDKit |
| Molar Refractivity | 54.24130000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 203.071306368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 203.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H14ClNO2.
Benzenemethanamine, 2,4-Dimethoxy-, Hydrochloride (1:1)
CAS 20781-21-9
Synephrine Hydrochloride
CAS 5985-28-4
Methyldopamine Hydrochloride
CAS 62-32-8
Ethanamine, 2-(2-Methoxyphenoxy)-, Hydrochloride (1:1)
CAS 64464-07-9
3-Hydroxy-4-Methoxyphenethylamine Hydrochloride
CAS 645-33-0
3-O-Methyldopamine Hydrochloride
CAS 1477-68-5
