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Molecule
Abcn
CAS: 2094-98-6 · C14H20N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2094-98-6
- Molecular Formula
- C14H20N4
- Molecular Mass
- 244.34 g/mol
Identifiers
CAS Registry Number
2094-98-6
SMILES
N#CC1(N=NC2(C#N)CCCCC2)CCCCC1
InChI Key
KYIKRXIYLAGAKQ-UHFFFAOYSA-N
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
Names and Synonyms
- Abcn Synonym
- Cyclohexanecarbonitrile, 1,1′-(1,2-diazenediyl)bis- Synonym
- Cyclohexanecarbonitrile, 1,1′-azodi- Synonym
- Cyclohexanecarbonitrile, 1,1′-azobis- Synonym
- 1,1′-Azobis[cyclohexanecarbonitrile] Synonym
- 1,1′-Azobis(cyclohexanenitrile) Synonym
- 1,1′-Azodicyclohexanecarbonitrile Synonym
- 1-Azo-1-cyanocyclohexane Synonym
- Azobis(1-cyanocyclohexane) Synonym
- 1,1′-Azobis[1-cyanocyclohexane] Synonym
- 1,1′-Azobis(1-cyclohexanecarbonitrile) Synonym
- Azocyclohexane-1,1′-dinitrile Synonym
- Vazo 88 Synonym
- V 40 Synonym
- V 40 (initiator) Synonym
- 1,1′-Azodi(hexahydrobenzonitrile) Synonym
- N,N-Azobis(cyclohexanecarbonitrile) Synonym
- ACHN Synonym
- 1,1′-Azobis(cyclohexane-1-carbonitrile) Synonym
- ACCN Synonym
- 1,1′-Azobis(cyanocyclohexane) Synonym
- V 88 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.34 g/mol | CAS Common Chemistry |
| 244.34199999999987 g/mol | RDKit | |
| 244.342 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 |
| 3.8916 | RDKit | |
| Molar Refractivity | 67.71400000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 244.16879663999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 244.34 g/mol. Edit any field — others recompute live.
