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Name
4-(3-azaspiro[5.5]undec-3-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride (1:1)
- EINECS
- CAS No. 64-60-8
- Density g/cm3
- Solubility
- Melting Point
- Formula C20H28FNO•ClH
- Boiling Point 449.6°Cat760mmHg
- Molecular Weight 353.95
- Flash Point 225.7°C
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of F−, NOx, and HCl.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochloride Chemical Properties
Molecular structure of 3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochloride (CAS NO.64-60-8) is:
Product Name: 3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochloride
CAS Registry Number: 64-60-8
IUPAC Name: 4-(9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one chloride
Molecular Weight: 352.893823 [g/mol]
Molecular Formula: C20H28ClFNO
H-Bond Donor: 0
H-Bond Acceptor: 4
Surface Tension: 42.4 dyne/cm
Density: 1.09 g/cm3
Flash Point: 225.7 °C
Enthalpy of Vaporization: 70.83 kJ/mol
Boiling Point: 449.6 °C at 760 mmHg
Vapour Pressure: 2.83E-08 mmHg at 25°C
Classification Code: Drug / Therapeutic Agent
3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 45mg/kg (45mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ANALGESIA | Journal of Medicinal Chemistry. Vol. 8, Pg. 62, 1965. |
| mouse | LD50 | oral | 120mg/kg (120mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Journal of Medicinal Chemistry. Vol. 8, Pg. 62, 1965. |
| rat | LD50 | intraperitoneal | 60mg/kg (60mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: ANALGESIA | Journal of Medicinal Chemistry. Vol. 8, Pg. 62, 1965. |
| rat | LD50 | oral | 200mg/kg (200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Journal of Medicinal Chemistry. Vol. 8, Pg. 62, 1965. |
3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochloride Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of F−, NOx, and HCl.
3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochloride Specification
3-((4-p-Fluorophenyl-4-hydroxy)butyl)-3-azaspiro(5.5)undecane hydrochloride , its cas register number is 64-60-8. It also can be called 4-(3-Azaspiro(5.5)undec-3-yl)-4'-fluoro-butyrophenone hydrochloride ; NSC 90825 ; Butyrophenone, 4-(3-azaspiro(5.5)undec-3-yl)-4'-fluoro-,hydrochloride .
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