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90-82-4

90-82-4 structural image
Product Name: Pseudoephedrine
Formula: C10H15NO
Synonyms: (+)-ψ-Ephedrine;(+)-Pseudoephedrine;(1S,2S)-2-Methylamino-1-phenyl-1-propanol;d-Isoephedrine;d-Pseudoephedrine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals from ether
Melting Point 119 °C
Solubility Sparingly sol in water; freely sol in alc or ether
LogP 0.89
Optical Rotation Specific optical rotation: +51.2 deg at 20 °C/D (in ethanol)
pH AQ SOLN (1 IN 200) 10.8
Dissociation Constants 10.3 (at 0 °C)
Kovats Retention Index 1392.2
Other Experimental Properties OCCURS AS DL, D & L ISOMERS

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319: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.
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.
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 165.23 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 165.115364102 g/mol
Monoisotopic Mass 165.115364102 g/mol
Topological Polar Surface Area 32.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 121
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Pseudoephedrine is a member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. It has a role as a sympathomimetic agent, an anti-asthmatic drug, a bronchodilator agent, a vasoconstrictor agent, a central nervous system drug, a nasal decongestant, a xenobiotic and a plant metabolite. It is a secondary alcohol, a secondary amino compound and a member of phenylethanolamines. It is a conjugate base of a pseudoephedrine(1+).