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29396-39-2
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Basic Information
CAS No.: 29396-39-2
Name: 5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium chloride
Molecular Structure:
Molecular Structure of 29396-39-2 (5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium chloride)
Formula: C8H14 N3 O . Cl
Molecular Weight: 203.70
Synonyms: 1,2,3-Oxadiazolium,5-amino-3-cyclohexyl-, chloride (9CI); Sydnone imine, 3-cyclohexyl-, hydrochloride(7CI); Sydnone imine, 3-cyclohexyl-, monohydrochloride (8CI);3-Cyclohexylsydnonimine hydrochloride
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 55.93000
LogP: -1.36530
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Chemistry

IUPAC Name: 3-cyclohexyloxadiazol-3-ium-5-amine chloride
Synonyms of 3-Cyclohexylsydnone imine monohydrochloride (CAS NO.29396-39-2): N-(Zyklohexyl)-sydnonimin hydrochlorid ; N-(Zyklohexyl)-sydnonimin hydrochlorid [German] ; Sydnone imine, 3-cyclohexyl-, monohydrochloride
CAS NO: 29396-39-2
Molecular Formula of 3-Cyclohexylsydnone imine monohydrochloride (CAS NO.29396-39-2): C8H14ClN3O
Molecular Weight: 203.6693  
Molecular Structure:

H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area of 3-Cyclohexylsydnone imine monohydrochloride (CAS NO.29396-39-2): 33.15 Å2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 280, 1968.
mouse LD50 intravenous 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1013, 1971.
mouse LD50 oral 206mg/kg (206mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)		 Acta Biologica et Medica Germanica. Vol. 14, Pg. 369, 1965.

Safety Profile

Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.