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37577-28-9

37577-28-9 structural image
Product Name: D-(+)-Norephedrine
Formula: C9H13NO
Synonyms: (1S,2R)-2-Amino-1-phenyl-1-propanol;erythro-α-(1-aminoethyl)benzyl alcohol;D-(+)-Norephedrine;Phenylpropanolamine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form White, crystalline powder
Odor Slight aromatic odor
Melting Point 101-101.5 °C
Solubility Freely soluble in water and alcohol
LogP log Kow = 0.67
Decomposition When heated to decomposition it emits very toxic fumes of nitroxides.
Dissociation Constants 9.05
Collision Cross Section 127.8 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Crystals; melting point 190-194 °C; odor resembling that of crude benzoic acid; pKa 9.44 + or - 0.04. Freely soluble in water, alcohol; practically insoluble in ether, chloroform, benzene. The aq soln is neutral to litmus. /Phenylpropanolamine hydrochloride/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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.
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 151.21 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 151.099714038 g/mol
Monoisotopic Mass 151.099714038 g/mol
Topological Polar Surface Area 46.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 110
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

(+)-norephedrine is an amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2R-stereoisomer). It is a member of amphetamines and a phenethylamine alkaloid.