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| Name |
4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime |
EINECS | N/A |
| CAS No. | 3779-45-1 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H27N3O•2Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 425.27 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Br−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime Chemical Properties
Product Name: 4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime (CAS NO.3779-45-1)
Molecular Formula: C15H27N3O•2Br
Molecular Weight: 425.27g/mol
Mol File: 3779-45-1.mol
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime (CAS NO.3779-45-1):
IUPAC Name: Triethyl-[3-[4-(oxoazaniumylmethylidene)pyridin-1-yl]propyl]azaniumdibromide
Canonical SMILES: CC[N+](CC)(CC)CCCN1C=CC(=C[NH+]=O)C=C1.[Br-].[Br-]
InChI: InChI=1S/C15H26N3O.2BrH/c1-4-18(5-2,6-3)13-7-10-17-11-8-15(9-12-17)14-16-19;;/h8-9,11-12,14H,4-7,10,13H2,1-3H3;2*1H/q+1;;/p-1
InChIKey: HFHJVBMHGGTIBC-UHFFFAOYSA-M
4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | subcutaneous | > 20mg/kg (20mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 14, Pg. 186, 1959. |
4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime Safety Profile
A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Br−.
4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime Specification
4-Formyl-1-(3-(triethylammonio)propyl)pyridinium dibromide oxime , its CAS NO. is 3779-45-1, the synonyms are NSC 168388 ; Pyridinium, 4-((hydroxyimino)methyl)-1-(3-(triethylammonio)propyl)-, dibromide (9CI) ; Pyridinium, 4-formyl-1-(3-(triethylammonio)propyl)-, dibromide, oxime .
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