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653-03-2

653-03-2 structural image
Product Name: butaperazine
Formula: C24H31N3OS
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 270-280 °C @ 0.05 mm Hg
Melting Point MP: 180-182 °C /Maleate/
Solubility 1 G IN 400 ML WATER; SOL IN DIMETHYLFORMAMIDE; SPARINGLY SOL IN ALCOHOL & METHANOL; INSOL IN ACETONE, CHLOROFORM, & ETHER /MALEATE/
Stability/Shelf Life UNSTABLE IN LIGHT (SUBJECT TO OXIDATIVE DEGRADATION) & EXCESSIVE HEAT /MALEATE/
Kovats Retention Index 3188
Other Experimental Properties PRACTICALLY ODORLESS & HAS MODERATELY BITTER TASTE, NOT APPRECIABLY HYGROSCOPIC /MALEATE/

COMPUTED DESCRIPTORS

Molecular Weight 409.6 g/mol
XLogP3 5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 409.21878379 g/mol
Monoisotopic Mass 409.21878379 g/mol
Topological Polar Surface Area 52.1 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 536
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Butaperazine is a member of phenothiazines.