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2E4Mz-Cn
CAS: 23996-25-0 | C9H13N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23996-25-0
Molecular Formula:
C9H13N3
Molecular Mass:
163.22 g/mol
Names and Synonyms:
2E4Mz-Cn
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
Imidazole-1-propionitrile, 2-ethyl-4-methyl-
2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile
1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole
1-Cyanoethyl-2-ethyl-4-methylimidazole
1-(Cyanethyl)-2-ethyl-4-methylimidazole
Curezol 2E4MZ-CN
2E4MZ-CN
Curimid CN
Epicure EM 24CN
Curamid CN
1-(2-Cynaoethyl)-2-ethyl-4-methylimidazole
Identifiers:
SMILES:
CCc1nc(C)cn1CCC#N
InChI:
InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
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 | 163.22 g/mol | CAS Common Chemistry |
| 163.224 g/mol | RDKit | |
| 163.110947416 g/mol | RDKit | |
| Canonical SMILES | N#CCCN1C=C(N=C1CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UIDDPPKZYZTEGS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2E4MZ-CN | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.61 Ų | RDKit |
| LogP | 1.6676 | RDKit |
| Molar Refractivity | 46.57200000000003 | RDKit |
