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| CAS No.: | 83-15-8 |
|---|---|
| Name: | 4-ACETAMIDOANTIPYRINE |
| Molecular Structure: | |
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| Formula: | C13H15N3O2 |
| Molecular Weight: | 245.281 |
| Synonyms: | Acetamidoantipyrine; Acetamide,N-antipyrinyl; Acetylaminoantipyrine; 4-Acetaminoantipyrine; 4-Acetylaminophenazone; 4-acetylamino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one; N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide; Antipyrine,4-acetamido; N-Acetyl-4-aminoantipyrine; N-Acetylaminoantipyrine; 4-Acetamidoantipyrine; 4-Acetoaminoantipyrine; 4-acetamido-2,3-dimethyl-1-phenylpyrazol-5-one; 查看更多英文别名 收起 |
| EINECS: | 201-457-0 |
| Density: | 1.26 g/cm3 |
| Melting Point: | 200-203 °C |
| Boiling Point: | 388.24°C (rough estimate) |
| Appearance: | yellow powder |
| Hazard Symbols: |
 Xi
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| Safety: | 22-24/25 |
| PSA: | 56.03000 |
| LogP: | 1.51580 |
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- Total:33 Page 1 of 1 1
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Specification
The N-Acetylaminoantipyrine, with the CAS registry number 83-15-8, is also known as 4-Acetylaminophenazone. It belongs to the product categories of Amino Acids; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. Its EINECS number is 201-457-0. This chemical's molecular formula is C13H15N3O2 and molecular weight is 245.28. What's more, its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide. It should be sealed and stored in a cool and dry place. What's more, it should be protected from light. It is used in organic synthesis. You should not breathe dust. When using it, you need avoid contact with skin and eyes.
Physical properties of N-Acetylaminoantipyrine are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.83; (8)ACD/KOC (pH 7.4): 17.83; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.86 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 68.21 cm3; (15)Molar Volume: 194.1 cm3; (16)Polarizability: 27.04×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.26 g/cm3.
Preparation of N-Acetylaminoantipyrine: this chemical can be prepared by acetic acid and 4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylcarbamoyl)-butyric acid by heating. The yield is about 58.5%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C
(2)InChI: InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
(3)InChIKey: OIAGWXKSCXPNNZ-UHFFFAOYSA-N