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| Name |
Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride |
EINECS | N/A |
| CAS No. | 77791-57-2 | Density | N/A |
| PSA | 35.58000 | LogP | 4.22910 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H24 Cl N3 O . 2 Cl H | Boiling Point | 427.7oC at 760 mmHg |
| Molecular Weight | 370.79 | Flash Point | 212.5oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetamide,N-(4-chlorophenyl)-2-[[2-(diethylamino)ethyl]methylamino]-, dihydrochloride(9CI) |
Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Chemical Properties
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IUPAC: [2-(4-chloroanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
Molecular Formula: C15H26Cl3N3O
Molecular Weight: 370.745440 g/mol
Mol File: 77791-57-2.mol
Canonical SMILES: CC[NH+](CC)CC[NH+](C)CC(=O)NC1=CC=C(C=C1)Cl.[Cl-].[Cl-]
InChI: InChI=1S/C15H24ClN3O.2ClH/c1-4-19(5-2)11-10-18(3)12-15(20)17-14-8-6-13(16)7-9-14;;/h6-9H,4-5,10-12H2,1-3H3,(H,17,20);2*1H
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 369.114146
MonoIsotopic Mass: 369.114146
Topological Polar Surface Area: 38
Heavy Atom Count: 22
Complexity: 276
Classification Code: Drug / Therapeutic Agent, Skin / Eye Irritant
Flash Point: 212.5 °C
Enthalpy of Vaporization: 68.27 kJ/mol
Boiling Point: 427.7 °C at 760 mmHg
Vapour Pressure of Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride (CAS NO.77791-57-2): 1.6E-07 mmHg at 25 °C
Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 435mg/kg (435mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959. | |
| rat | LD50 | intraperitoneal | 166mg/kg (166mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 262, 1959. |
Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Safety Profile
Poison by intraperitoneal route. Moderately toxic by subcutaneous route. An eye irritant. When heated to decomposition Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride (CAS NO.77791-57-2) emits very toxic fumes of Cl− and NOx.
Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride Specification
Acetanilide, 4'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride (CAS NO.77791-57-2) can be called 4'-Chloro-2-(2-(diethylamino)ethyl) methylaminoacetanilide dihydrochloride .
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