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| Name |
N,N-Diethyl-n'-(2-(2-ethyl-1,3-benzodiox-ol-2-yl)ethyl) ethylenediamine dimaleate |
EINECS | N/A |
| CAS No. | 52400-60-9 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H28N2O2•2C4H4O4 | Boiling Point | 376.8°Cat760mmHg |
| Molecular Weight | 524.63 | Flash Point | 181.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
N,N-Diethyl-n'-(2-(2-ethyl-1,3-benzodiox-ol-2-yl)ethyl) ethylenediamine dimaleate Chemical Properties
IUPAC Name: Diethyl-[2-[2-(2-ethyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl]azanium ; (Z)-4-hydroxy-4-oxobut-2-enoate
Synonyms of N,N-Diethyl-n'-(2-(2-ethyl-1,3-benzodiox-ol-2-yl)ethyl) ethylenediamine dimaleate (CAS NO.52400-60-9): 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethylamino)ethyl)-2-ethyl-, dimaleate
InChI: InChI=1/C17H28N2O2.2C4H4O4/c1-4-17(11-12-18-13-14-19(5-2)6-3)20-15-9-7-8-10-16(15)21-17;2*5-3(6)1-2-4(7)8/h7-10,18H,4-6,11-14H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey: IKPHHYCFKRWSLZ-SPIKMXEPBG
Std. InChI: InChI=1S/C17H28N2O2.2C4H4O4/c1-4-17(11-12-18-13-14-19(5-2)6-3)20-15-9-7-8-10-16(15)21-17;2*5-3(6)1-2-4(7)8/h7-10,18H,4-6,11-14H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
Std. InChIKey: IKPHHYCFKRWSLZ-SPIKMXEPSA-N
CAS NO: 52400-60-9
Molecular Formula: C25H36N2O10
Molecular Weight: 524.5607
Molecular Structure : .png)
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 9
Polar Surface Area: 18.46 Å2
Flash Point: 181.7 °C
Enthalpy of Vaporization: 62.45 kJ/mol
Boiling Point: 376.8 °C at 760 mmHg
Vapour Pressure: 7.04E-06 mmHg at 25°C
N,N-Diethyl-n'-(2-(2-ethyl-1,3-benzodiox-ol-2-yl)ethyl) ethylenediamine dimaleate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 175mg/kg (175mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977. | |
| rat | LD50 | intravenous | 55mg/kg (55mg/kg) | European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 413, 1977. |
N,N-Diethyl-n'-(2-(2-ethyl-1,3-benzodiox-ol-2-yl)ethyl) ethylenediamine dimaleate Safety Profile
Poison by intravenous and intraperitoneal routes. When N,N-Diethyl-n'-(2-(2-ethyl-1,3-benzodiox-ol-2-yl)ethyl) ethylenediamine dimaleate (CAS NO.52400-60-9) is heated to decomposition, it emits toxic fumes of NOx.
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