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86-35-1

86-35-1 structural image
Product Name: ETHOTOIN
Formula: C11H12N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Stout prisms from water.
Melting Point 94 °C
Solubility 5280 mg/L
LogP 1.05
Stability/Shelf Life Ethotoin darkens on exposure to light or extreme heat.
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Kovats Retention Index 1790 1800

COMPUTED DESCRIPTORS

Molecular Weight 204.22 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 204.089877630 g/mol
Monoisotopic Mass 204.089877630 g/mol
Topological Polar Surface Area 49.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 272
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ethotoin is an imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective. It has a role as an anticonvulsant.