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N-(4-Aminophenyl)Maleimide
CAS: 29753-26-2 | C10H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29753-26-2
Molecular Formula:
C10H8N2O2
Molecular Mass:
188.19 g/mol
Names and Synonyms:
N-(4-Aminophenyl)Maleimide
1H-Pyrrole-2,5-dione, 1-(4-aminophenyl)-
1-(4-Aminophenyl)-1H-pyrrole-2,5-dione
N-(4-Aminophenyl)maleimide
N-(p-Aminophenyl)maleimide
(p-Aminophenyl)maleimide
1-(4-Aminophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
1-(4-Aminophenyl)pyrrole-2,5-dione
Identifiers:
SMILES:
Nc1ccc(N2C(=O)C=CC2=O)cc1
InChI:
InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2
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 | 188.19 g/mol | CAS Common Chemistry |
| 188.186 g/mol | RDKit | |
| 188.058577496 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XOPCHXSYQHXLHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(4-Aminophenyl)maleimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.4 Ų | RDKit |
| LogP | 0.6982 | RDKit |
| Molar Refractivity | 52.48740000000001 | RDKit |
