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N-Cyclohexylmaleimide
CAS: 1631-25-0 | C10H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1631-25-0
Molecular Formula:
C10H13NO2
Molecular Mass:
179.22 g/mol
Names and Synonyms:
N-Cyclohexylmaleimide
1H-Pyrrole-2,5-dione, 1-cyclohexyl-
Maleimide, N-cyclohexyl-
1-Cyclohexyl-1H-pyrrole-2,5-dione
N-Cyclohexylmaleimide
Imilex C
NSC 524431
CHMI-FS
Cyclohexyl maleimide
1-Cyclohexylpyrrole-2,5-dione
1-Cyclohexyl-2,5-dihydro-1H-pyrrole-2,5-dione
N-Cyclohexyl maleic imide
Identifiers:
SMILES:
O=C1C=CC(=O)N1C1CCCCC1
InChI:
InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2
Key Properties
Boiling Point
132 °C @ Press: 17 Torr
CAS Common Chemistry
Melting Point
83-85 °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 | 179.22 g/mol | CAS Common Chemistry |
| 179.21899999999997 g/mol | RDKit | |
| 179.094628656 g/mol | RDKit | |
| Boiling Point | 132 °C @ Press: 17 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC(=O)N1C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BQTPKSBXMONSJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-85 °C | CAS Common Chemistry |
| Name | N-Cyclohexylmaleimide | 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 | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 1.2440999999999998 | RDKit |
| Molar Refractivity | 47.86600000000003 | RDKit |
