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21001-46-7

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Basic Information
CAS No.: 21001-46-7
Name: N,N-diethyl-2-[(2,3,4,9-tetrahydro-1H-carbazol-6-ylcarbonyl)oxy]ethanaminium chloride
Molecular Structure:
Molecular Structure of 21001-46-7 (N,N-diethyl-2-[(2,3,4,9-tetrahydro-1H-carbazol-6-ylcarbonyl)oxy]ethanaminium chloride)
Formula: C19H26N2O2•ClH
Molecular Weight: 350.93
Density: g/cm3
Boiling Point: 471.9°Cat760mmHg
Flash Point: 239.2°C
Safety: Poison by subcutaneous and intravenous routes. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and HCl.
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  • 5,6,7,8-TETRAHYDRO-3-CARBAZOLE-CARBOXYLIC ACID 2-(DIETHYLAMINO)-ETHYL ESTER HYDROCHLORIDE

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    21001-46-7

    5,6,7,8-TETRAHYDRO-3-CARBAZOLE-CARBOXYLIC ACID 2-(DIETHYLAMINO)-ETHYL ESTER HYDROCHLORIDE

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Chemistry

IUPAC Name: diethyl-[2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyloxy)ethyl]azanium chloride 
Empirical Formula: C19H27ClN2O2
Molecular Weight: 350.8829g/mol
Structure of Potassium sodium alloy (CAS NO.11135-81-2):

Flash Point: 239.2 °C
Enthalpy of Vaporization: 73.47 kJ/mol
Boiling Point: 471.9 °C at 760 mmHg
Vapour Pressure: 4.49E-09 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent, Skin / Eye Irritant 
Canonical SMILES: CC[NH+](CC)CCOC(=O)C1=CC2=C(C=C1)NC3=C2CCCC3.[Cl-]
InChI: InChI=1S/C19H26N2O2.ClH/c1-3-21(4-2)11-12-23-19(22)14-9-10-18-16(13-14)15-7-5-6-8-17(15)20-18;/h9-10,13,20H,3-8,11-12H2,1-2H3;1H
InChIKey: JZGJDRBSQORITP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 1000 ppm MOD

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 40 (1951),373.
2.    

eye-rbt 1000 ppm MLD

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 40 (1951),373.
3.    

scu-mus LD50:178 mg/kg

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 40 (1951),373.
4.    

ivn-mus LD50:33 mg/kg

     JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 40 (1951),373.

Safety Profile

Poison by subcutaneous and intravenous routes. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

  5,6,7,8-Tetrahydro-3-carbazolecarboxylic acid 2-(diethylamino)ethyl ester hydrochloride , its cas register number is 21001-46-7. It also can be called Carbazole-3-carboxylic acid, 5,6,7,8-tetrahydro-, 2-(diethylamino)ethyl ester, hydrochloride .