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54-49-9

54-49-9 structural image
Product Name: METARAMINOL
Formula: C9H13NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 218 °C
Melting Point 107.5 °C
Solubility 1000 g/L
LogP -0.27
Decomposition When heated to decomposition it emits toxic fumes of nitroxides.
Dissociation Constants 8.79
Other Experimental Properties Crystals; MP: 176-177 °C; pH of 1% aq soln: about 3.5; freely sol in water /l-form Bitartrate/

COMPUTED DESCRIPTORS

Molecular Weight 167.20 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 167.094628657 g/mol
Monoisotopic Mass 167.094628657 g/mol
Topological Polar Surface Area 66.5 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 141
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

Metaraminol is a member of the class of phenylethanolamines that is 2-amino-1-phenylethanol substituted by a methyl group at position 2 and a phenolic hydroxy group at position 1. A sympathomimetic agent , it is used in the treatment of hypotension. It has a role as an alpha-adrenergic agonist, a sympathomimetic agent and a vasoconstrictor agent.