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| Name |
N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride |
EINECS | N/A |
| CAS No. | 77985-28-5 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H26N2O2•ClH | Boiling Point | 411.7°C at 760 mmHg |
| Molecular Weight | 326.91 | Flash Point | 202.8°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 HCl and NOx. See also ESTERS and CARBAMATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride Chemical Properties
IUPAC Name: : (2,4,6-Trimethylphenyl) N-(2-piperidin-1-ium-1-ylethyl)carbamate chloride
Synonyms of N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride (CAS NO.77985-28-5): N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride
InChI: InChI=1/C17H26N2O2.ClH/c1-13-11-14(2)16(15(3)12-13)21-17(20)18-7-10-19-8-5-4-6-9-19;/h11-12H,4-10H2,1-3H3,(H,18,20);1H
InChIKey: AYKLEDWGNCRCFV-UHFFFAOYAF
Std. InChI: InChI=1S/C17H26N2O2.ClH/c1-13-11-14(2)16(15(3)12-13)21-17(20)18-7-10-19-8-5-4-6-9-19;/h11-12H,4-10H2,1-3H3,(H,18,20);1H
Std. InChIKey: AYKLEDWGNCRCFV-UHFFFAOYSA-N
CAS NO: 77985-28-5
Molecular Formula: C17H27ClN2O2
Molecular Weight: 326.8615
Molecular Structure : .png)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 29.54 Å2
Flash Point: 202.8 °C
Enthalpy of Vaporization: 66.42 kJ/mol
Boiling Point: 411.7 °C at 760 mmHg
Vapour Pressure: 5.49E-07 mmHg at 25°C
N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 115mg/kg (115mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
| rat | LD50 | intraperitoneal | 52500ug/kg (52.5mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride Safety Profile
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When N-(2-Piperidinoethyl)carbamic acid, mesityl ester, hydrochloride (CAS NO.77985-28-5) is heated to decomposition, it emits very toxic fumes of HCl and NOx. See also ESTERS and CARBAMATES.
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