Back to Search
4-Acetylaminoantipyrine
CAS: 83-15-8 | C13H15N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83-15-8
Molecular Formula:
C13H15N3O2
Molecular Mass:
245.28 g/mol
Names and Synonyms:
4-Acetylaminoantipyrine
Acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
Acetamide, N-antipyrinyl-
Antipyrine, 4-acetamido-
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide
4-Acetamidoantipyrine
N-Acetyl-4-aminoantipyrine
4-Acetylaminoantipyrine
Acetylaminoantipyrine
4-Acetoaminoantipyrine
4-Acetylaminophenazone
N-Antipyrinylacetamide
4-Acetaminoantipyrine
N-Acetyl-4-aminophenazone
4-(N-Acetylamino)antipyrine
4-Acetamido-2,3-dimethyl-1-phenylpyrazol-5-one
NSC 331807
Identifiers:
SMILES:
CC(O)=Nc1c(C)n(C)n(-c2ccccc2)c1=O
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)
Key Properties
Melting Point
198-199 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.28 g/mol | CAS Common Chemistry |
| 245.282 g/mol | RDKit | |
| 245.11642672 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C(=O)N(C=2C=CC=CC2)N(C1C)C)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=OIAGWXKSCXPNNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-199 °C | CAS Common Chemistry |
| Name | 4-Acetylaminoantipyrine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.52 Ų | RDKit |
| LogP | 2.09232 | RDKit |
| Molar Refractivity | 71.14480000000002 | RDKit |
