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Name |
N-(2-Pyrrolidinylethyl)carbamic acid, 6-chloro-o-tolyl ester, hydrochloride |
EINECS | N/A |
CAS No. | 77985-30-9 | Density | g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H19ClN2O2•ClH | Boiling Point | 394.6°Cat760mmHg |
Molecular Weight | 319.26 | Flash Point | 192.5°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and Cl−. See also CARBAMATES and ESTERS. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
C 5312;CARBAMIC ACID, N-(2-PYRROLIDINYLETHYL)-, 6-CHLORO-o-TOLYL ESTER, HYDROCHLORIDE;(2-chloro-6-methyl-phenyl) N-[2-(2,3,4,5-tetrahydropyrrol-1-yl)ethyl]carbamate chloride; |
IUPAC Name: : (2-Chloro-6-methylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Synonyms of N-(2-Pyrrolidinylethyl)carbamic acid, 6-chloro-o-tolyl ester, hydrochloride (CAS NO.77985-30-9): Carbamic acid, N-(2-pyrrolidinylethyl)-, 6-chloro-o-tolyl ester, hydrochloride
InChI: InChI=1/C14H19ClN2O2.ClH/c1-11-5-4-6-12(15)13(11)19-14(18)16-7-10-17-8-2-3-9-17;/h4-6H,2-3,7-10H2,1H3,(H,16,18);1H
InChIKey: WDEMVOONXMNNLO-UHFFFAOYAC
Std. InChI: InChI=1S/C14H19ClN2O2.ClH/c1-11-5-4-6-12(15)13(11)19-14(18)16-7-10-17-8-2-3-9-17;/h4-6H,2-3,7-10H2,1H3,(H,16,18);1H
Std. InChIKey: WDEMVOONXMNNLO-UHFFFAOYSA-N
CAS NO: 77985-30-9
Molecular Formula: C14H20Cl2N2O2
Molecular Weight: 319.2268
Molecular Structure :
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 29.54 Å2
Flash Point: 192.5 °C
Enthalpy of Vaporization: 64.47 kJ/mol
Boiling Point: 394.6 °C at 760 mmHg
Vapour Pressure: 1.95E-06 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 91500ug/kg (91.5mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
rat | LD50 | intraperitoneal | 55mg/kg (55mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When N-(2-Pyrrolidinylethyl)carbamic acid, 6-chloro-o-tolyl ester, hydrochloride (CAS NO.77985-30-9) is heated to decomposition ,it emits very toxic fumes of NOx and Cl−. See also CARBAMATES and ESTERS.