Back to Search
Molecule
1,4-Phenylenebismaleimide
CAS: 3278-31-7 · C14H8N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3278-31-7
- Molecular Formula
- C14H8N2O4
- Molecular Mass
- 268.23 g/mol
Identifiers
CAS Registry Number
3278-31-7
SMILES
O=C1C=CC(=O)N1c1ccc(N2C(=O)C=CC2=O)cc1
InChI Key
AQGZJQNZNONGKY-UHFFFAOYSA-N
InChI
InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
Names and Synonyms
- 1,4-Phenylenebismaleimide Systematic Name
- 1H-Pyrrole-2,5-dione, 1,1′-(1,4-phenylene)bis- Synonym
- Maleimide, N,N′-p-phenylenedi- Synonym
- 1,1′-(1,4-Phenylene)bis[1H-pyrrole-2,5-dione] Synonym
- N,N′-p-Phenylenebis(maleimide) Synonym
- 1,4-Dimaleimidobenzene Synonym
- N,N′-1,4-Phenylenedimaleimide Synonym
- 4,4′-Phenylenedimaleimide Synonym
- N,N′-p-Phenylenedimaleimide Synonym
- 1,4-Bismaleimidobenzene Synonym
- p-Phenylene dimaleimide Synonym
- p-N,N′-Phenylenebismaleimide Synonym
- 1,4-Phenylenebismaleimide Synonym
- NSC 81257 Synonym
- N,N′-1,4-Phenylenebismaleimide Synonym
- 1-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione Synonym
- 1-[4-(2,5-Dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.23 g/mol | CAS Common Chemistry |
| 268.228 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC(=O)N1C2=CC=C(C=C2)N3C(=O)C=CC3=O | CAS Common Chemistry |
| InChI | InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=AQGZJQNZNONGKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300 °C | CAS Common Chemistry |
| Name | 1,4-Phenylenebismaleimide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.76 Ų | RDKit |
| 74.3 Ų | chempirical lib | |
| LogP | 0.5453999999999999 | RDKit |
| 0.5454 | RDKit | |
| Molar Refractivity | 69.70800000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 268.048406736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 268.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H8N2O4.
