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14838-15-4

14838-15-4 structural image
Product Name: Phenylpropanolamine
Formula: C9H13NO
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form White, crystalline powder
Odor Slight aromatic odor
Melting Point 190-194 °C
Solubility Freely soluble
LogP 0.67
Decomposition When heated to decomposition it emits very toxic fumes of nitroxides.
Dissociation Constants 9.44 (at 20 °C)
Kovats Retention Index 1313 1304 1308 1308 1287 1300 1291 1310 1310 1302.6 1287 1304 1308 1310 1313
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/

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 1R,2S-stereoisomer). It is a plant alkaloid. It has a role as a plant metabolite. It is a member of amphetamines and a phenethylamine alkaloid.