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2,2′-Azobis[2,4-Dimethylvaleronitrile]
CAS: 4419-11-8 | C14H24N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4419-11-8
Molecular Formula:
C14H24N4
Molecular Mass:
248.37 g/mol
Names and Synonyms:
2,2′-Azobis[2,4-Dimethylvaleronitrile]
Pentanenitrile, 2,2′-(1,2-diazenediyl)bis[2,4-dimethyl-
Valeronitrile, 2,2′-azobis[2,4-dimethyl-
Pentanenitrile, 2,2′-azobis[2,4-dimethyl-
2,2′-(1,2-Diazenediyl)bis[2,4-dimethylpentanenitrile]
α,α′-Azobis(α,γ-dimethylvaleronitrile)
2,2′-Azobis[2,4-dimethylvaleronitrile]
α,α′-Azobis[2,4-dimethylvaleronitrile]
Vazo 52
α,α′-Azobis(dimethylvaleronitrile)
2,2′-Azobis[2,4-dimethylpentanenitrile]
V 65
V 65 (polymerization catalyst)
2,2′-Azodi(2,4-dimethylvaleronitrile)
AMVN
ADVN
V 65B
ABVN
AIVN
2,2′-Azobis(dimethylvaleronitrile)
2,2′-(Diazene-1,2-diyl)bis(2,4-dimethylpentanenitrile)
V 52
Identifiers:
SMILES:
CC(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)C
InChI:
InChI=1S/C14H24N4/c1-11(2)7-13(5,9-15)17-18-14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3
Key Properties
Melting Point
75-76 °C (decomp)
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 | 248.37 g/mol | CAS Common Chemistry |
| 248.37399999999997 g/mol | RDKit | |
| 248.20009676799998 g/mol | RDKit | |
| Canonical SMILES | N#CC(N=NC(C#N)(C)CC(C)C)(C)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H24N4/c1-11(2)7-13(5,9-15)17-18-14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WYGWHHGCAGTUCH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75-76 °C (decomp) | CAS Common Chemistry |
| Name | 2,2′-Azobis[2,4-dimethylvaleronitrile] | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | 4.095360000000004 | RDKit |
| Molar Refractivity | 71.80200000000005 | RDKit |
