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| Name |
N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl |
EINECS | N/A |
| CAS No. | 101491-86-5 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H36 N2 O3 . Cl H | Boiling Point | 490.6°Cat760mmHg |
| Molecular Weight | 413.06 | Flash Point | 250.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous route. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(2-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl N-[1-(3,5-dimethy lphenoxy)propan-2-yl]-N-ethyl-carbamate chloride |
N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl Chemical Properties
IUPAC Name: 2-(2-methylpiperidin-1-ium-1-yl)ethylN-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylcarbamate chloride
Empirical Formula: C22H37ClN2O3
Molecular Weight: 412.9938
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 412.249271
MonoIsotopic Mass: 412.249271
Topological Polar Surface Area: 43.2
Heavy Atom Count: 28
Formal Charge: 0
Complexity: 435
Flash Point: 250.5 °C
Enthalpy of Vaporization: 75.72 kJ/mol
Boiling Point: 490.6 °C at 760 mmHg
Vapour Pressure: 9E-10 mmHg at 25°C
Canonical SMILES: CCN(C(C)COC1=CC(=CC(=C1)C)C)C(=O)OCC[NH+]2CCCCC2C.[Cl-]
InChI: InChI=1S/C22H36N2O3.ClH/c1-6-24(20(5)16-27-21-14-17(2)13-18(3)15-21)22
(25)26-12-11-23-10-8-7-9-19(23)4;/h13-15,19-20H,6-12,16H2,1-5H3;1H
InChIKey: BXDMZPWBEHLDKS-UHFFFAOYSA-N
Structure of N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl (CAS NO.101491-86-5):
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N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl Toxicity Data With Reference
| 1. | eye-rbt 2% SEV | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),113. | ||
| 2. | scu-mus LD50:352 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),113. |
N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl Safety Profile
Poison by subcutaneous route. A severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS.
N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl Specification
N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl , its cas register number is 101491-86-5. It also can be called Carbamic acid, N-ethyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride . N-Ethyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl (CAS NO.101491-86-5) will cause a severe eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.
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