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Benzylmaleimide
CAS: 1631-26-1 | C11H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1631-26-1
Molecular Formula:
C11H9NO2
Molecular Mass:
187.20 g/mol
Names and Synonyms:
Benzylmaleimide
1H-Pyrrole-2,5-dione, 1-(phenylmethyl)-
Maleimide, N-benzyl-
1-(Phenylmethyl)-1H-pyrrole-2,5-dione
N-Benzylmaleimide
1-Benzyl-1H-pyrrole-2,5-dione
1-Benzyl-2,5-pyrroledione
NSC 12802
Benzylmaleimide
1-Benzyl-pyrrole-2,5-dione
N-Benzylpyrrole-2,5-dione
1-Benzyl-2,5-dihydro-1H-pyrrole-2,5-dione
Identifiers:
SMILES:
O=C1C=CC(=O)N1Cc1ccccc1
InChI:
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
Key Properties
Boiling Point
177 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
68-69 °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 | 187.20 g/mol | CAS Common Chemistry |
| 187.19800000000004 g/mol | RDKit | |
| 187.063328528 g/mol | RDKit | |
| Boiling Point | 177 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC(=O)N1CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MKRBAPNEJMFMHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68-69 °C | CAS Common Chemistry |
| Name | Benzylmaleimide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 1.1116 | RDKit |
| Molar Refractivity | 51.139000000000024 | RDKit |
