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Molecule
α,α′-Azobis[2,4-dimethylvaleronitrile]
CAS: 4419-11-8 · C14H24N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4419-11-8
- Molecular Formula
- C14H24N4
- Molecular Mass
- 248.37 g/mol
Identifiers
CAS Registry Number
4419-11-8
SMILES
CC(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)C
InChI Key
WYGWHHGCAGTUCH-UHFFFAOYSA-N
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
Names and Synonyms
- α,α′-Azobis[2,4-dimethylvaleronitrile] Synonym
- Vazo 52 Synonym
- α,α′-Azobis(dimethylvaleronitrile) Synonym
- 2,2′-Azobis[2,4-dimethylpentanenitrile] Synonym
- V 65 Synonym
- V 65 (polymerization catalyst) Synonym
- 2,2′-Azobis[2,4-Dimethylvaleronitrile] Synonym
- Pentanenitrile, 2,2′-(1,2-diazenediyl)bis[2,4-dimethyl- Synonym
- Valeronitrile, 2,2′-azobis[2,4-dimethyl- Synonym
- Pentanenitrile, 2,2′-azobis[2,4-dimethyl- Synonym
- 2,2′-(1,2-Diazenediyl)bis[2,4-dimethylpentanenitrile] Synonym
- α,α′-Azobis(α,γ-dimethylvaleronitrile) Synonym
- 2,2′-Azobis[2,4-dimethylvaleronitrile] Synonym
- 2,2′-Azodi(2,4-dimethylvaleronitrile) Synonym
- AMVN Synonym
- ADVN Synonym
- V 65B Synonym
- ABVN Synonym
- AIVN Synonym
- 2,2′-Azobis(dimethylvaleronitrile) Synonym
- 2,2′-(Diazene-1,2-diyl)bis(2,4-dimethylpentanenitrile) Synonym
- V 52 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.37 g/mol | CAS Common Chemistry |
| 248.37399999999997 g/mol | RDKit | |
| 248.374 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 |
| 4.0954 | RDKit | |
| Molar Refractivity | 71.80200000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 248.20009676799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 248.37 g/mol. Edit any field — others recompute live.
