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Homecas427-00-9

427-00-9

427-00-9 structural image
Product Name: desomorphine
Formula: C17H21NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Rectangular plates from acetone-water
Boiling Point Sublimes in high vacuum between 140 and 170 °C
Solubility Soluble in acetone, ethyl acetate
Optical Rotation Crystals from ethyl acetate; mp 162-164 °C. Specific optical rotation: -79 deg at 27 °C/D (c = 1.80 in ethyl acetate) /Desmorphine hemihydrate/
Decomposition When heated to decomposition it emits toxic fumes of /oxides of nitrogen/.
Other Experimental Properties Anhydrous base, MP 189 °C

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
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 271.35 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 271.157228913 g/mol
Monoisotopic Mass 271.157228913 g/mol
Topological Polar Surface Area 32.7 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 427
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

Desomorphine is a morphinane alkaloid.