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Abcn
CAS: 2094-98-6 | C14H20N4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2094-98-6
Molecular Formula:
C14H20N4
Molecular Mass:
244.34 g/mol
Names and Synonyms:
Abcn
Cyclohexanecarbonitrile, 1,1′-(1,2-diazenediyl)bis-
Cyclohexanecarbonitrile, 1,1′-azodi-
Cyclohexanecarbonitrile, 1,1′-azobis-
1,1′-Azobis[cyclohexanecarbonitrile]
1,1′-Azobis(cyclohexanenitrile)
1,1′-Azodicyclohexanecarbonitrile
1-Azo-1-cyanocyclohexane
Azobis(1-cyanocyclohexane)
1,1′-Azobis[1-cyanocyclohexane]
1,1′-Azobis(1-cyclohexanecarbonitrile)
Azocyclohexane-1,1′-dinitrile
Vazo 88
V 40
V 40 (initiator)
1,1′-Azodi(hexahydrobenzonitrile)
N,N-Azobis(cyclohexanecarbonitrile)
ACHN
1,1′-Azobis(cyclohexane-1-carbonitrile)
ACCN
1,1′-Azobis(cyanocyclohexane)
V 88
Identifiers:
SMILES:
N#CC1(N=NC2(C#N)CCCCC2)CCCCC1
InChI:
InChI=1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2
Key Properties
Melting Point
116 °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 | 244.34 g/mol | CAS Common Chemistry |
| 244.34199999999987 g/mol | RDKit | |
| 244.16879663999998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/ABCN | CAS Common Chemistry |
| Canonical SMILES | N#CC1(N=NC2(C#N)CCCCC2)CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KYIKRXIYLAGAKQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | 1,1′-Azobis(cyclohexane-1-carbonitrile) | CAS Common Chemistry |
| ABCN | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | 3.891560000000003 | RDKit |
| Molar Refractivity | 67.71400000000004 | RDKit |
