-
Name
N-(4-butoxyphenyl)-2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)acetamide chl oride
- EINECS
- CAS No. 77791-53-8
- Density
- Solubility
- Melting Point
- Formula C17H26 N2 O2 . Cl H
- Boiling Point 464.3°C at 760 mmHg
- Molecular Weight 326.91
- Flash Point 234.6°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Moderately toxic by subcutaneous route. A severe eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-Piperidineacetamide,N-(4-butoxyphenyl)-, monohydrochloride (9CI); 1-Piperidineacetanilide,4'-butoxy-, hydrochloride (6CI)
- PSA 41.57000
- LogP 3.86570
Acetanilide, 4'-butoxy-2-piperidino-, hydrochloride Chemical Properties
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IUPAC: N-(4-butoxyphenyl)-2-piperidin-1-ium-1-ylacetamide chloride
Molecular Formula: C17H27ClN2O2
Molecular Weight: 326.861480 g/mol
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 326.176106
MonoIsotopic Mass: 326.176106
Topological Polar Surface Area: 42.8
Heavy Atom Count: 22
Complexity: 295
Classification Code: Drug / Therapeutic Agent,Skin / Eye Irritant
Smiles: c1(NC(C[NH+]2CCCCC2)=O)ccc(OCCCC)cc1.[ClH-]
Flash Point: 234.6 °C
Enthalpy of Vaporization: 72.56 kJ/mol
Boiling Point: 464.3 °C at 760 mmHg
Vapour Pressure of Acetanilide, 4'-butoxy-2-piperidino-, hydrochloride (CAS NO.77791-53-8): 8.49E-09 mmHg at 25 °C
Acetanilide, 4'-butoxy-2-piperidino-, hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Source |
|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 665mg/kg (665mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 407, 1958. |
| rat | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 407, 1958. |
Acetanilide, 4'-butoxy-2-piperidino-, hydrochloride Safety Profile
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. A severe eye irritant. When heated to decomposition Acetanilide, 4'-butoxy-2-piperidino-, hydrochloride (CAS NO.77791-53-8) emits very toxic fumes of NOx and HCl.
Acetanilide, 4'-butoxy-2-piperidino-, hydrochloride Specification
Acetanilide, 4'-butoxy-2-piperidino-, hydrochloride (CAS NO.77791-53-8),its Synonyms are 4'-Butoxy-2-piperidinoacetanilide, hydrochloride ; C 3125 .
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