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| Name |
Benzenaminium,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[N,N,N-trimethyl-, diiodide, rel-(9CI) |
EINECS | N/A |
| CAS No. | 604-92-2 | Density | N/A |
| PSA | 0.00000 | LogP | -0.22460 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H38I2N2 | Boiling Point | N/A |
| Molecular Weight | 608.388 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ammonium,[(1,2-diethylethylene)di-p-phenylene]bis[trimethyl-, diiodide, stereoisomer(8CI);Benzenaminium, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis[N,N,N-trimethyl-,diiodide, (R*,S*)-;Paramion;Paramyon;meso-4,4'-(1,2-Diethyl-1,2-ethanediyl)bis[N,N,N-trimethylbenzenaminium diiodide; |
Benzenaminium,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[N,N,N-trimethyl-, diiodide, rel-(9CI) Specification
The Benzenaminium,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[N,N,N-trimethyl-, diiodide, rel-(9CI), with CAS registry number 604-92-2, has the systematic name of 4,4'-hexane-3,4-diylbis(N,N,N-trimethylanilinium) diiodide. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C24H38I2N2.
Physical properties of Benzenaminium,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[N,N,N-trimethyl-, diiodide, rel-(9CI): (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -0.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.67; (8)ACD/KOC (pH 7.4): 12.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [I-].[I-].c1cc(ccc1[N+](C)(C)C)C(CC)C(c2ccc(cc2)[N+](C)(C)C)CC
(2)InChI: InChI=1/C24H38N2.2HI/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8;;/h11-18,23-24H,9-10H2,1-8H3;2*1H/q+2;;/p-2
(3)InChIKey: CLMIEWJBSVHIJU-NUQVWONBAZ
(4)Std. InChI: InChI=1S/C24H38N2.2HI/c1-9-23(19-11-15-21(16-12-19)25(3,4)5)24(10-2)20-13-17-22(18-14-20)26(6,7)8;;/h11-18,23-24H,9-10H2,1-8H3;2*1H/q+2;;/p-2
(5)Std. InChIKey: CLMIEWJBSVHIJU-UHFFFAOYSA-L
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 310ug/kg (0.31mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Russian Pharmacology and Toxicology Vol. 32, Pg. 74, 1969. |
| rat | LD50 | intraperitoneal | 370ug/kg (0.37mg/kg) | Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 473, 1958. |
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