-
Name
1-(2-{[4-(butoxycarbonyl)phenyl](butyl)amino}-2-oxoethyl)piperidinium chloride
- EINECS
- CAS No. 78329-88-1
- Density g/cm3
- Solubility
- Melting Point
- Formula C22H34N2O3•ClH
- Boiling Point 499.4°Cat760mmHg
- Molecular Weight 411.04
- Flash Point 255.8°C
- Transport Information
- Appearance
- Safety Moderately toxic by intraperitoneal and subcutaneous routes. A severe eye irritant. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx and HCl.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride Chemical Properties
IUPAC Name: 1-Amino-1-imino-2-sulfosulfanylethane
Synonyms of p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride (CAS NO.78329-88-1): Benzoic acid, p-(N-butyl-2-(piperidino)acetamido)-, butyl ester, hydrochloride
InChI: InChI=1/C22H34N2O3.ClH/c1-3-5-16-24(21(25)18-23-14-8-7-9-15-23)20-12-10-19(11-13-20)22(26)27-17-6-4-2;/h10-13H,3-9,14-18H2,1-2H3;1H
CAS NO: 78329-88-1
Molecular Formula: C22H35ClN2O3
Molecular Weight : 410.9779
Molecular Structure: .png)
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 46.61 Å2
Flash Point: 255.8 °C
Enthalpy of Vaporization: 76.78 kJ/mol
Boiling Point: 499.4 °C at 760 mmHg
Vapour Pressure: 4.16E-10 mmHg at 25°C
p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 3750mg/kg (3750mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958. | |
| rat | LD50 | intraperitoneal | 480mg/kg (480mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958. |
p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride Safety Profile
Moderately toxic by intraperitoneal and subcutaneous routes. A severe eye irritant. See also ESTERS. When p-(N-Butyl-2-(piperidino)acetamido)benzoic acid butyl ester hydrochloride (CAS NO.78329-88-1) is heated to decomposition, it emits very toxic fumes of NOx and HCl.
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