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101491-84-3

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Basic Information
CAS No.: 101491-84-3
Name: 1-[2-({ethyl[1-(2-methylphenoxy)propan-2-yl]carbamoyl}oxy)ethyl]-2-methylpiperidinium chloride
Molecular Structure:
Molecular Structure of 101491-84-3 (1-[2-({ethyl[1-(2-methylphenoxy)propan-2-yl]carbamoyl}oxy)ethyl]-2-methylpiperidinium chloride)
Formula: C21H34 N2 O3 . Cl H
Molecular Weight: 399.03
Density: g/cm3
Boiling Point: 471.8°Cat760mmHg
Flash Point: 239.1°C
Safety: Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS.
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  • 2-(2-methylpiperidin-1-ium-1-yl)ethylN-ethyl-N-[1-(2-methylphenoxy)propan-2-yl]carbamate chloride

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    101491-84-3

    2-(2-methylpiperidin-1-ium-1-yl)ethylN-ethyl-N-[1-(2-methylphenoxy)propan-2-yl]carbamate chloride

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:yellowis to white powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use

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Chemistry

IUPAC Name: 2-(2-methylpiperidin-1-ium-1-yl)ethylN-ethyl-N-[1-(2-methylphenoxy)propan-2-yl]carbamate chloride 
Empirical Formula: C21H35ClN2O3
Molecular Weight: 398.9672g/mol 
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 398.233621
MonoIsotopic Mass: 398.233621
Topological Polar Surface Area: 43.2
Heavy Atom Count: 27
Formal Charge: 0
Complexity: 418 
Flash Point: 239.1 °C
Enthalpy of Vaporization: 73.46 kJ/mol
Boiling Point: 471.8 °C at 760 mmHg
Vapour Pressure: 4.52E-09 mmHg at 25°C
Canonical SMILES: CCN(C(C)COC1=CC=CC=C1C)C(=O)OCC[NH+]2CCCCC2C.[Cl-]
InChI: InChI=1S/C21H34N2O3.ClH/c1-5-23(19(4)16-26-20-12-7-6-10-17(20)2)21(24)25-15-14-22-13-9-8-11-18(22)3;/h6-7,10,12,18-19H,5,8-9,11,13-16H2,1-4H3;1H
InChIKey: KMHSEXZIHDSEGW-UHFFFAOYSA-N
Structure of N-Ethyl-N-(1-(o-tolyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl (CAS NO.101491-84-3):

Toxicity Data With Reference

1.    

eye-rbt 2% MOD

     ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),113.
2.    

scu-mus LD50:250 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 9 (1959),113.

Safety Profile

Poison by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx. See also CARBAMATES and ESTERS.

Specification

  N-Ethyl-N-(1-(o-tolyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl , Its cas register number is 101491-84-3. It also can be called C 2138 ; Carbamic acid, N-ethyl-N-(1-(o-tolyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride .  N-Ethyl-N-(1-(o-tolyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HCl (CAS NO.101491-84-3) will cause an eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NOx.