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N-Acetylaminoantipyrine

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N-Acetylaminoantipyrine

EINECS 201-457-0
CAS No. 83-15-8 Density 1.26 g/cm3
PSA 56.03000 LogP 1.51580
Solubility N/A Melting Point 200-203 °C
Formula C13H15N3O2 Boiling Point 388.24°C (rough estimate)
Molecular Weight 245.281 Flash Point N/A
Transport Information N/A Appearance yellow powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 83-15-8 (4-ACETAMIDOANTIPYRINE) Hazard Symbols IrritantXi
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

Article Data 15

N-Acetylaminoantipyrine 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%.

N-Acetylaminoantipyrine 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

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

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