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| Name |
4,4′-(Pimeloylbis(imino-p-phenylene-imino))bis(1-methylpyridinium) dibromide |
EINECS | N/A |
| CAS No. | 60172-01-2 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C31H36N6O2•2Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 684.55 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of Br− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4,4′-(Pimeloylbis(imino-p-phenylene-imino))bis(1-methylpyridinium) dibromide Chemical Properties
Molecular Structure of 4,4′-(Pimeloylbis(imino-p-phenylene-imino))bis(1-methylpyridinium) dibromide (CAS NO. 60172-01-2):
.png)
IUPAC Name: N,N'-bis[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]heptanediamide dibromide
Empirical Formula: C31H36Br2N6O2
Molecular Weight: 684.4645
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 12
Polar Surface Area: 54.86Å2
InChI
InChI=1/C31H34N6O2.2BrH/c1-36-20-16-28(17-21-36)32-24-8-12-26(13-9-24)34-30(38)6-4-3-5-7-31(39)35-27-14-10-25(11-15-27)33-29-18-22-37(2)23-19-29;;/h8-23H,3-7H2,1-2H3,(H2,34,35,38,39);2*1H
Smiles
c1[n+](C)ccc(c1)Nc1ccc(cc1)NC(CCCCCC(Nc1ccc(cc1)Nc1cc[n+](cc1)C)=O)=O.[BrH-].[BrH-]
Classification Code: Drug / Therapeutic Agent;Mutation data
4,4′-(Pimeloylbis(imino-p-phenylene-imino))bis(1-methylpyridinium) dibromide Toxicity Data With Reference
| 1. | dnd-mus:lym 42 µmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
| 2. | ipr-mus LD10:30 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
4,4′-(Pimeloylbis(imino-p-phenylene-imino))bis(1-methylpyridinium) dibromide Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of Br− and NOx.
4,4′-(Pimeloylbis(imino-p-phenylene-imino))bis(1-methylpyridinium) dibromide Specification
4,4′-(Pimeloylbis(imino-p-phenylene-imino))bis(1-methylpyridinium) dibromide , with CAS number of 60172-01-2, can be called Pyridinium, 4,4'-(pimeloylbis(imino-p-phenyleneimino))bis(1-methyl-, dibromide .
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