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| CAS No.: | 78218-16-3 |
|---|---|
| Name: | 9-((3-((2-CHLOROETHYL)ETHYLAMINO)-PROPYL)AMINO)-4-METHOXYACRIDINE DIHYDROCHLORIDE HEMIHYDRATE |
| Molecular Structure: | |
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| Formula: | C21H26ClN3O•2ClH•1/2H2O |
| Molecular Weight: | 453.84 |
| Safety: | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
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Chemistry
Empirical Formula of 9-((3-((2-Chloroethyl)ethylamino)propyl)amino)-4-methoxyacridine dihydrochloride hemihydrate (CAS NO.78218-16-3): C42H58Cl6N6O3
Molecular Weight: 907.6663
Flash Point: 270.2 °C
Enthalpy of Vaporization: 79.68 kJ/mol
Boiling Point: 523.2 °C at 760 mmHg
Vapour Pressure: 4.83E-11 mmHg at 25 °C
Structure of 9-((3-((2-Chloroethyl)ethylamino)propyl)amino)-4-methoxyacridine dihydrochloride hemihydrate (CAS NO.78218-16-3):
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IUPAC Name: N-(2-Chloroethyl)-N-ethyl-N'-(4-methoxyacridin-9-yl)propane-1,3-diamine hydrate tetrahydrochloride
Canonical SMILES: CCN(CCCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)OC)CCCl.CCN(CCCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)OC)CCCl.O.Cl.Cl.Cl.Cl
InChI: InChI=1S/2C21H26ClN3O.4ClH.H2O/c2*1-3-25(15-12-22)14-7-13-23-20-16-8-4-5-10-18(16)24-21-17(20)9-6-11-19(21)26-2;;;;;/h2*4-6,8-11H,3,7,12-15H2,1-2H3,(H,23,24);4*1H;1H2
InChIKey: UDVUUOGBVLAWAR-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 5 µg/plate | JMCMAR Journal of Medicinal Chemistry. 15 (1972),739. | ||
| 2. | ipr-mus LD20:1362 µg/kg | JMCMAR Journal of Medicinal Chemistry. 15 (1972),739. |
Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition 9-((3-((2-Chloroethyl)ethylamino)propyl)amino)-4-methoxyacridine dihydrochloride hemihydrate (CAS NO.78218-16-3) emits very toxic fumes of Cl− and NOx.
Specification
9-((3-((2-Chloroethyl)ethylamino)propyl)amino)-4-methoxyacridine dihydrochloride hemihydrate , its cas register number is 78218-16-3. It also can be called 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(4-methoxy-9-acridinyl)-, dihydrochloride, hemihydrate ; and Acridine, 9-((3-((2-chloroethyl)ethylamino)propyl)amino)-4-methoxy-, 2HCl, hemihydrate .