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N-Octyl Bicycloheptene Dicarboximide
CAS: 113-48-4 | C17H25NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
113-48-4
Molecular Formula:
C17H25NO2
Molecular Mass:
275.39 g/mol
Names and Synonyms:
N-Octyl Bicycloheptene Dicarboximide
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-
5-Norbornene-2,3-dicarboximide, N-(2-ethylhexyl)-
2-(2-Ethylhexyl)-3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
MGK 264
N-(2-Ethylhexyl)bicyclo-(2,2,1)-5-heptene-2,3-dicarboximide
Octacide 264
Synergist 264
Van Dyk 264
N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide
Dicarboximide
Carboximide
Octylbicycloheptenedicarboximide
Synepirin 222
NSC 36678
NSC 406879
ENT 8184
Zengxiaoan
2-(2-Ethylhexyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Identifiers:
SMILES:
CCCCC(CC)CN1C(=O)C2C3C=CC(C3)C2C1=O
InChI:
InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3
Key Properties
Boiling Point
158.2 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
-20 °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 | 275.39 g/mol | CAS Common Chemistry |
| 275.39200000000005 g/mol | RDKit | |
| 275.18852904 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Octyl_bicycloheptene_dicarboximide | CAS Common Chemistry |
| Boiling Point | 158.2 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C(=O)C2C3C=CC(C3)C12)CC(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WLLGXSLBOPFWQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -20 °C | CAS Common Chemistry |
| Name | Dicarboximide | CAS Common Chemistry |
| N-Octyl bicycloheptene dicarboximide | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 3.009900000000002 | RDKit |
| Molar Refractivity | 77.74300000000004 | RDKit |
