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| Name |
6-Allyl-6,7-dihydro-6-methyl-5H-dibenz(c,e)azepinium iodide |
EINECS | N/A |
| CAS No. | 63918-56-9 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H20 N . I | Boiling Point | °Cat760mmHg |
| Molecular Weight | 377.268 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. See also ALLYL COMPOUNDS and IODIDES. When heated to decomposition it yields highly toxic fumes of iodides and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5H-Dibenz[c,e]azepinium,6,7-dihydro-6-methyl-6-(2-propenyl)-, iodide (9CI); 6-Allyl-6,7-dihydro-6-methyl-5H-dibenz[c,e]azepiniumiodide (6CI) |
6-Allyl-6,7-dihydro-6-methyl-5H-dibenz(c,e)azepinium iodide Chemical Properties
IUPAC Name: 11-methyl-11-[(E)-prop-1-enyl]-5,6-dihydrobenzo[b][1]benzazepin-11-ium iodide
Empirical Formula: C18H20IN
Molecular Weight: 377.2626g/mol
Structure of 6-Allyl-6,7-dihydro-6-methyl-5H-dibenz(c,e)azepinium iodide (CAS NO.63918-56-9):
.bmp)
Canonical SMILES: CC=C[N+]1(C2=CC=CC=C2CCC3=CC=CC=C31)C.[I-]
Isomeric SMILES: C/C=C/[N+]1(C2=CC=CC=C2CCC3=CC=CC=C31)C.[I-]
InChI: InChI=1S/C18H20N.HI/c1-3-14-19(2)17-10-6-4-8-15(17)12-13-16-9-5-7-11-18(16)19;/h3-11,14H,12-13H2,1-2H3;1H/q+1;/p-1/b14-3+;
InChIKey: LESTYZYLFQQVTD-UFJIHACCSA-M
6-Allyl-6,7-dihydro-6-methyl-5H-dibenz(c,e)azepinium iodide Toxicity Data With Reference
| 1. | ipr-mus LD50:83 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 103 (1951),10. | ||
| 2. | ivn-mus LD50:6 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 103 (1951),10. |
6-Allyl-6,7-dihydro-6-methyl-5H-dibenz(c,e)azepinium iodide Safety Profile
Poison by intraperitoneal and intravenous routes. See also ALLYL COMPOUNDS and IODIDES. When heated to decomposition it yields highly toxic fumes of iodides and NOx.
6-Allyl-6,7-dihydro-6-methyl-5H-dibenz(c,e)azepinium iodide Specification
6-Allyl-6,7-dihydro-6-methyl-5H-dibenz(c,e)azepinium iodide , its cas register number is 63918-56-9. It also can be called
Ro 2-3742 ; 5H-Dibenz(c,e)azepinium, 6-allyl-6,7-dihydro-6-methyl-, iodide . When heated to decomposition it yields highly toxic fumes of iodides and NOx.
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