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N-Phenylmaleimide
CAS: 941-69-5 | C10H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
941-69-5
Molecular Formula:
C10H7NO2
Molecular Mass:
173.17 g/mol
Names and Synonyms:
N-Phenylmaleimide
1H-Pyrrole-2,5-dione, 1-phenyl-
Maleimide, N-phenyl-
1-Phenyl-1H-pyrrole-2,5-dione
Maleanil
N-Phenylmaleimide
Phenylmaleimide
Maleimidobenzene
N-Phenylmaleic acid imide
N-Phenylmaleic imide
N-Phenylmaleinimide
Imilex P
NSC 8183
1-Phenyl-pyrrole-2,5-dione
N-Phenylpyrrole-2,5-dione
1-Phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
1-[4-(Acetoxy)phenyl]maleimide
Identifiers:
SMILES:
O=C1C=CC(=O)N1c1ccccc1
InChI:
InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
Key Properties
Boiling Point
181 °C @ Press: 27 Torr
CAS Common Chemistry
Melting Point
90.5 °C
CAS Common Chemistry
Density
1.41 g/cm³
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 | 173.17 g/mol | CAS Common Chemistry |
| 173.17100000000002 g/mol | RDKit | |
| 173.047678464 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.405 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 181 °C @ Press: 27 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC(=O)N1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=HIDBROSJWZYGSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90.5 °C | CAS Common Chemistry |
| Name | N-Phenylmaleimide | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.1159999999999999 | RDKit |
| Molar Refractivity | 48.07500000000002 | RDKit |
