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| Name |
Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate |
EINECS | N/A |
| CAS No. | 19142-70-2 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C38H39N7O4•2C7H7O3S | Boiling Point | N/A |
| Molecular Weight | 1000.24 | Flash Point | N/A |
| 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 SOx and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate Chemical Properties
Molecule structure of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS NO.19142-70-2):
.gif)
IUPAC Name: 2-Amino-1-N,4-N-bis[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Molecular Weight: 1000.14812 g/mol
Molecular Formula: C52H53N7O10S2
H-Bond Donor: 5
H-Bond Acceptor: 11
Rotatable Bond Count: 12
Tautomer Count: 133
Exact Mass: 999.329532
MonoIsotopic Mass: 999.329532
Topological Polar Surface Area: 265
Heavy Atom Count: 71
Complexity: 1280
Canonical SMILES: CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C38H37N7O4.2C7H8O3S/c1-3-19-44-21-5-7-31(24-44)42-35(46)26-9-14-29(15-10-26)40-37(48)28-13-18-33(34(39)23-28)38(49)41-30-16-11-27(12-17-30)36(47)43-32-8-6-22-45(25-32)20-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-18,21-25H,3-4,19-20H2,1-2H3,(H4-2,39,40,41,42,43,46,47,48,49);2*2-5H,1H3,(H,8,9,10)
InChIKey of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS NO.19142-70-2): AJHUDNUETNFGEV-UHFFFAOYSA-N
Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate Toxicity Data With Reference
| 1. | dnd-mus:lym 530 nmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
| 2. | ipr-mus LD10:47 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx.
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