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23246-96-0

23246-96-0 structural image
Product Name: riddelline
Formula: C18H23NO6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Riddelline is a colorless to off-white crystalline solid. Starts turning brown at approximately 329 °F; is blackish-brown at melting point. (NTP, 1992)
Melting Point 369 °F (NTP, 1992)
Solubility less than 1 mg/mL at 77 °F (NTP, 1992)
Stability/Shelf Life Stability: stable at room temperature in closed containers: best stored under nitrogen -15 °C.
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxide/.
Chemical Classes Biological Agents -> Plant Toxins

COMPUTED DESCRIPTORS

Molecular Weight 349.4 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 349.15253745 g/mol
Monoisotopic Mass 349.15253745 g/mol
Topological Polar Surface Area 96.3 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 667
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Riddelline is a colorless to off-white crystalline solid. Starts turning brown at approximately 329 °F; is blackish-brown at melting point. (NTP, 1992)