-
Name
5-amino-3-cyclohexyl-1,2,3-oxadiazol-3-ium chloride
- EINECS
- CAS No. 29396-39-2
- Article Data1
- CAS DataBase
- Density g/cm3
- Solubility
- Melting Point
- Formula C8H14 N3 O . Cl
- Boiling Point °Cat760mmHg
- Molecular Weight 203.70
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 55.93000
- LogP -1.36530
3-Cyclohexylsydnone imine monohydrochloride Chemical Properties
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:
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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
3-Cyclohexylsydnone imine monohydrochloride 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. |
3-Cyclohexylsydnone imine monohydrochloride Safety Profile
Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
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