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| Name |
Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate |
EINECS | N/A |
| CAS No. | 63918-38-7 | Density | g/cm3 |
| PSA | 223.27000 | LogP | 2.75350 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H14NO•C6H2N3O9S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 408.346 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFONATES, PICRIC ACID, and NITRO COMPOUNDS of AROMATIC HYDROCARBONS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
C6H14NO.C6H2N3O9S; |
Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Chemical Properties
IUPAC Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate
Empirical Formula: C12H16N4O10S
Molecular Weight: 408.3412g/mol
H-Bond Donor: 1
H-Bond Acceptor: 10
Rotatable Bond Count: 3
Exact Mass: 408.058713
MonoIsotopic Mass: 408.058713
Topological Polar Surface Area: 207
Heavy Atom Count: 27
Formal Charge: 0
Complexity: 535
Canonical SMILES: CC[N+]1(CC1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])
[N+](=O)[O-]
InChI: InChI=1S/C6H3N3O9S.C6H14NO/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-2-7(3-4-7)5-6-8/h1-2H,(H,16,17,18);8H,2-6H2,1H3/q;+1/p-1
InChIKey: GUVVOTFAZHZDHR-UHFFFAOYSA-M
Structure of Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate (CAS NO.11135-81-2):
Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Toxicity Data With Reference
| 1. | scu-mus LD50:5500 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224. | ||
| 2. | ivn-mus LD50:5 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224. | ||
| 3. | ivn-rbt LDLo:5 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224. |
Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Safety Profile
Poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFONATES, PICRIC ACID, and NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Specification
Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate , its cas register number is 63918-38-7. It also can be called 1-Ethyl-1-(beta-hydroxyethyl)ethylenimonium picrylsulfonate ; Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, salt with 2,4,6-
trinitrobenzenesulfonic acid ; Ethylenimonium, ethyl(2-hydroxyethyl)-, picrylsulfonate .
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