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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.

External Resources

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

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