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Mefenamic Acid
CAS: 61-68-7 | C15H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61-68-7
Molecular Formula:
C15H15NO2
Molecular Mass:
241.29 g/mol
Names and Synonyms:
Mefenamic Acid
Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-
Anthranilic acid, N-2,3-xylyl-
2-[(2,3-Dimethylphenyl)amino]benzoic acid
C.I. 473
INF 3355
N-(2,3-Dimethylphenyl)anthranilic acid
Mefenamic acid
Mephenamic acid
Ponstan
N-(2,3-Xylyl)-2-aminobenzoic acid
N-(2,3-Xylyl)anthranilic acid
Coslan
Lysalgo
Parkemed
Ponstel
Ponstil
Ponstyl
Pontal
Tanston
Vialidon
Mefacit
2′,3′-Dimethyl-N-phenylanthranilic acid
Bonabol
Ponalar
Namphen
In-M
Mefenacid
Baphameritin M
Bafameritin M
CN 35355
NSC 94437
2-(2,3-Dimethylanilino)benzoic acid
Relafan
Identifiers:
SMILES:
Cc1cccc(Nc2ccccc2C(=O)O)c1C
InChI:
InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
Key Properties
Melting Point
230-231 °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 | 241.29 g/mol | CAS Common Chemistry |
| 241.11027872 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1NC2=CC=CC(=C2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=HYYBABOKPJLUIN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230-231 °C | CAS Common Chemistry |
| Name | Mefenamic acid | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 3.7452400000000017 | RDKit |
| Molar Refractivity | 72.60000000000002 | RDKit |
