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(-)-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 Weight:
203.66899999999998 g/mol
Names and Synonyms:
(-)-Phenylephrine Hydrochloride
(R)-3-(1-Hydroxy-2-(methylamino)ethyl)phenol hydrochloride
R-Phenylephrine hydrochloride
Irifrin
Neosinesine
Ak-Nefrin
Ak-Dilate
Isophrin
Pyracort D
Nostril
M-Sympatol
Decadron
Prefrin
Mydfrin
(R)-Phenylephrine hydrochloride
Neo-Synesin 1
R-(-)-m-Synephrine hydrochloride
Metaoxedrine hydrochloride
Lexatol
Oftalfrine
Meta-Sympatol
Adrianol
Meta-Synephrine hydrochloride
Neo-Synephrine hydrochloride
l-α-Hydroxy-β-methylamino-3-hydroxy-1-ethylbenzene hydrochloride
l-1-(m-Hydroxyphenyl)-2-methylaminoethanol hydrochloride
l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride
Phenylephrine hydrochloride
Levophenylephrine hydrochloride
Metaoxedrine chloride
l-Phenylephrine hydrochloride
(-)-Phenylephrine hydrochloride
Synasal
Sucraphen
Neophryn
Isophrin hydrochloride
(-)-α-Hydroxy-β-(methylamino)ethyl-α-(3-hydroxybenzene)hydrochloride
Almefrin
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (αR)-
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (R)-
Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (-)-
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1), (αR)-
Alcon Efrin
Identifiers:
SMILES:
CNC[C@H](O)c1cccc(O)c1.Cl
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 203.67 g/mol | Legacy Database |
| cas-canonical-smile | Cl.OC1=CC=CC(=C1)C(O)CNC None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=OCYSGIYOVXAGKQ-FVGYRXGTSA-N None | Legacy Database |
| cas-melting-point | 142.5 °C None | Legacy Database |
| cas-name | (-)-Phenylephrine hydrochloride None | Legacy Database |
| LogP | 1.0668 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 203.66899999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 203.071306368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.489999999999995 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 54.24130000000003 | RDKit |
