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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 Mass:
203.67 g/mol
Names and Synonyms:
(-)-Phenylephrine Hydrochloride
Alcon Efrin
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride (1:1), (αR)-
Benzyl alcohol, m-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (-)-
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (R)-
Benzenemethanol, 3-hydroxy-α-[(methylamino)methyl]-, hydrochloride, (αR)-
Almefrin
(-)-α-Hydroxy-β-(methylamino)ethyl-α-(3-hydroxybenzene)hydrochloride
Isophrin hydrochloride
Neophryn
Sucraphen
Synasal
(-)-Phenylephrine hydrochloride
l-Phenylephrine hydrochloride
Metaoxedrine chloride
Levophenylephrine hydrochloride
Phenylephrine hydrochloride
l-m-Hydroxy-α-[(methylamino)methyl]benzyl alcohol hydrochloride
l-1-(m-Hydroxyphenyl)-2-methylaminoethanol hydrochloride
l-α-Hydroxy-β-methylamino-3-hydroxy-1-ethylbenzene hydrochloride
Neo-Synephrine hydrochloride
Meta-Synephrine hydrochloride
Adrianol
Meta-Sympatol
Oftalfrine
Lexatol
Metaoxedrine hydrochloride
R-(-)-m-Synephrine hydrochloride
Neo-Synesin 1
(R)-Phenylephrine hydrochloride
Mydfrin
Prefrin
Decadron
M-Sympatol
Nostril
Pyracort D
Isophrin
Ak-Dilate
Ak-Nefrin
Neosinesine
Irifrin
R-Phenylephrine hydrochloride
(R)-3-(1-Hydroxy-2-(methylamino)ethyl)phenol hydrochloride
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
Key Properties
Melting Point
142.5 °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 | 203.67 g/mol | CAS Common Chemistry |
| 203.66899999999998 g/mol | RDKit | |
| 203.071306368 g/mol | RDKit | |
| 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 |
| LogP | 1.0668 | RDKit |
| Molar Refractivity | 54.24130000000003 | RDKit |
