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N-(4-Methylphenyl)Maleimide
CAS: 1631-28-3 | C11H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1631-28-3
Molecular Formula:
C11H9NO2
Molecular Mass:
187.20 g/mol
Names and Synonyms:
N-(4-Methylphenyl)Maleimide
1H-Pyrrole-2,5-dione, 1-(4-methylphenyl)-
Maleimide, N-p-tolyl-
1-(4-Methylphenyl)-1H-pyrrole-2,5-dione
N-p-Tolylmaleimide
p-Tolylmaleimide
N-(4-Methylphenyl)maleimide
N-(p-Methylphenyl)maleimide
N-4-Tolylmaleimide
IT 510
NSC 13691
1-p-Tolyl-pyrrole-2,5-dione
1-(4-Methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
Identifiers:
SMILES:
Cc1ccc(N2C(=O)C=CC2=O)cc1
InChI:
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
Key Properties
Melting Point
149-150 °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 |
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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 | 187.20 g/mol | CAS Common Chemistry |
| 187.198 g/mol | RDKit | |
| 187.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KCFXNGDHQPMIAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149-150 °C | CAS Common Chemistry |
| Name | N-(4-Methylphenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 1.4244199999999998 | RDKit |
| Molar Refractivity | 52.81200000000002 | RDKit |
