-
Name
1-(2-{[(2,4,6-trimethylphenoxy)carbonyl]amino}ethyl)pyrrolidinium chloride
- EINECS
- CAS No. 77985-31-0
- Density
- Solubility
- Melting Point
- Formula C16H24N2O2•ClH
- Boiling Point 396.4°C at 760 mmHg
- Molecular Weight 312.88
- Flash Point 193.5°C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also CARBAMATES and ESTERS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
N-(2-Pyrrolidinylethyl)carbamic acid, mesityl ester, hydrochloride Chemical Properties
IUPAC Name: (2,4,6-Trimethylphenyl) N-(2-pyrrolidin-1-ium-1-ylethyl)carbamate chloride
Synonyms of N-(2-Pyrrolidinylethyl)carbamic acid, mesityl ester, hydrochloride (CAS NO.77985-31-0): Carbamic acid, N-(2-pyrrolidinylethyl)-, mesityl ester, hydrochloride
InChI: InChI=1/C16H24N2O2.ClH/c1-12-10-13(2)15(14(3)11-12)20-16(19)17-6-9-18-7-4-5-8-18;/h10-11H,4-9H2,1-3H3,(H,17,19);1H
InChIKey: AVUYLWAJJZJFLZ-UHFFFAOYAE
Std. InChI: InChI=1S/C16H24N2O2.ClH/c1-12-10-13(2)15(14(3)11-12)20-16(19)17-6-9-18-7-4-5-8-18;/h10-11H,4-9H2,1-3H3,(H,17,19);1H
Std. InChIKey: AVUYLWAJJZJFLZ-UHFFFAOYSA-N
CAS NO: 77985-31-0
Molecular Formula: C16H25ClN2O2
Molecular Weight: 312.8349
Molecular Structure : .png)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 29.54 Å2
Flash Point: 193.5 °C
Enthalpy of Vaporization: 64.67 kJ/mol
Boiling Point: 396.4 °C at 760 mmHg
Vapour Pressure: 1.72E-06 mmHg at 25°C
N-(2-Pyrrolidinylethyl)carbamic acid, mesityl ester, hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 225mg/kg (225mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
| rat | LD50 | intraperitoneal | 74mg/kg (74mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
N-(2-Pyrrolidinylethyl)carbamic acid, mesityl ester, hydrochloride Safety Profile
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When N-(2-Pyrrolidinylethyl)carbamic acid, mesityl ester, hydrochloride (CAS NO.77985-31-0) is heated to decomposition, it emits very toxic fumes of NOx and HCl. See also CARBAMATES and ESTERS.
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