-
Name
[(4-butoxycarbonylphenyl)-butyl-carbamoyl]methyl-butyl-azanium chlorid e
- EINECS
- CAS No. 78329-87-0
- Density
- Solubility
- Melting Point
- Formula C21H34 N2 O3 . Cl H
- Boiling Point 483°C at 760 mmHg
- Molecular Weight 385.00
- Flash Point 245.9°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Moderately toxic by subcutaneous route. See also ESTERS. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Benzoicacid, 4-[butyl[(butylamino)acetyl]amino]-, butyl ester, monohydrochloride (9CI)
- PSA 51.05000
- LogP 0.68880
p-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride Chemical Properties
IUPAC Name: [2-(4-Butoxycarbonyl-N-butylanilino)-2-oxoethyl]-butylazanium chloride
Synonyms of p-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride (CAS NO.78329-87-0): Benzoic acid, p-(N-butyl-2-(butylamino)acetamido)-, butyl ester, hydrochloride
InChI: InChI=1/C21H34N2O3.ClH/c1-4-7-14-22-17-20(24)23(15-8-5-2)19-12-10-18(11-13-19)21(25)26-16-9-6-3;/h10-13,22H,4-9,14-17H2,1-3H3;1H
CAS NO: 78329-87-0
Molecular Formula: C21H35ClN2O3
Molecular Weight : 398.9672
Molecular Structure: .png)
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 14
Polar Surface Area: 46.61 Å2
Flash Point: 245.9 °C
Enthalpy of Vaporization: 74.8 kJ/mol
Boiling Point: 483 °C at 760 mmHg
Vapour Pressure: 1.75E-09 mmHg at 25°C
p-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 2825mg/kg (2825mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958. | |
| rat | LD50 | intraperitoneal | 260mg/kg (260mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 609, 1958. |
p-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride Safety Profile
Poison by intraperitoneal route. P-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride (CAS NO.78329-87-0) is moderately toxic by subcutaneous route. See also ESTERS. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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