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59-42-7

59-42-7 structural image
Product Name: Phenylephrine
Formula: C9H13NO2
Synonyms: L-Phenylephrine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 140-145 °C
Solubility Freely soluble in water
LogP -0.31
Stability/Shelf Life Solutions of phenylephrine hydrochloride that have been diluted in 5% dextrose injection are stable for at least 48 hours at pH 3.5-7.5. /Phenylephrine hydrochloride/
Dissociation Constants 8.97
Kovats Retention Index 1660 1660
Other Experimental Properties CRYSTALS; BITTER; MP: 140-145 °C; FREELY SOL IN WATER OR ALCOHOL; SPECIFIC OPTICAL ROTATION: -46.2 TO -47.2 DEG @ 25 °C/D; AQ SOLN IS NEUTRAL TO LITMUS PAPER /PHENYLEPHRINE HYDROCHLORIDE/

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 167.20 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 167.094628657 g/mol
Monoisotopic Mass 167.094628657 g/mol
Topological Polar Surface Area 52.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 130
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Phenylephrine is a member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. It has a role as an alpha-adrenergic agonist, a cardiotonic drug, a mydriatic agent, a protective agent, a vasoconstrictor agent, a sympathomimetic agent and a nasal decongestant. It is a member of phenylethanolamines, a secondary amino compound and a member of phenols. It is a conjugate base of a phenylephrine(1+).

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