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25717-80-0

25717-80-0 structural image
Product Name: Molsidomine
Formula: C9H14N4O4
Synonyms: N-(Ethoxycarbonyl)-3-(4-morpholino)sydnone imine;SIN-10
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 266 to 368
Melting Point 156
Solubility >36.3 [ug/mL] (The mean of the results at pH 7.4)
LogP -1.61

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 242.23 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 242.10150494 g/mol
Monoisotopic Mass 242.10150494 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 270
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

1-ethoxy-N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]methanimidate is a member of morpholines.