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| CAS No.: | 55902-04-0 |
|---|---|
| Name: | N-Allyl-N-(α-methylphenethyl)-3-methyl-6-oxo-1(6H)-pyridazineacetamide |
| Molecular Structure: | |
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| Formula: | C19H23N3O2 |
| Molecular Weight: | 325.45 |
| Density: | 1.1611 (rough estimate) |
| Boiling Point: | 463.59°C (rough estimate) |
| Safety: | Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also ALLYL COMPOUNDS. |
| PSA: | 55.20000 |
| LogP: | 2.19750 |
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Chemistry
Molecule structure of N-Allyl-3-methyl-N-alpha-methylphenethyl-6-oxo-1(6H)-pyridazineacetamide (CAS NO.55902-04-0):
IUPAC Name: 2-(3-Methyl-6-oxopyridazin-1-yl)-N-(1-phenylpropan-2-yl)-N-prop-2-enylacetamide
Molecular Weight: 325.40482 g/mol
Molecular Formula: C19H23N3O2
XLogP3-AA: 2.3
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Exact Mass: 325.179027
MonoIsotopic Mass: 325.179027
Topological Polar Surface Area: 53
Heavy Atom Count: 24
Complexity: 533
Canonical SMILES: CC1=NN(C(=O)C=C1)CC(=O)N(CC=C)C(C)CC2=CC=CC=C2
InChI: InChI=1S/C19H23N3O2/c1-4-12-21(16(3)13-17-8-6-5-7-9-17)19(24)14-22-18(23)11-10-15(2)20-22/h4-11,16H,1,12-14H2,2-3H3
InChIKey: CJMKAKKCVQLXRE-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:1710 mg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 9 (1974),644. | ||
| 2. | ipr-rat LD50:628 mg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 9 (1974),644. |
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also ALLYL COMPOUNDS.
Specification
N-Allyl-3-methyl-N-alpha-methylphenethyl-6-oxo-1(6H)-pyridazineacetamide (CAS NO.55902-04-0) is also named as 5-24-02-00103 (Beilstein Handbook Reference) ; BRN 0759971 ; 1(6H)-Pyridazineacetamide, N-allyl-3-methyl-N-alpha-
methylphenethyl-6-oxo- . N-Allyl-3-methyl-N-alpha-methylphenethyl-6-oxo-1(6H)-pyridazineacetamide (CAS NO.55902-04-0) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep N-Allyl-3-methyl-N-alpha-methylphenethyl-6-oxo-1(6H)-pyridazineacetamide (CAS NO.55902-04-0) separate from raw materials of food.