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2,2′-Azobis[2-Methylbutyronitrile]
CAS: 13472-08-7 | C10H16N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13472-08-7
Molecular Formula:
C10H16N4
Molecular Mass:
192.27 g/mol
Names and Synonyms:
2,2′-Azobis[2-Methylbutyronitrile]
Butanenitrile, 2,2′-(1,2-diazenediyl)bis[2-methyl-
Butyronitrile, 2,2′-azobis[2-methyl-
Butanenitrile, 2,2′-azobis[2-methyl-
2,2′-(1,2-Diazenediyl)bis[2-methylbutanenitrile]
2,2′-Azobis[2-methylbutyronitrile]
2,2′-Azobis[α-methylbutyronitrile]
2,2′-Dimethyl-2,2′-azodibutyronitrile
Vazo 67
Perkadox AMBN
Azostarter V 59
2,2′-Azobis[2-methylbutanenitrile]
Azocatalyst M
V 59
Wako V 59
AMBN
2,2′-Azobis(2-cyanobutane)
Perkadox AMBN-gr
AIPN
ABN-E
Vazo 59
AIVN
2,2′-Azodi(2-methylbutyronitrile)
2,2′-(Diazene-1,2-diyl)bis(2-methylbutanenitrile)
2-[2-(1-Cyano-1-methylpropyl)diazen-1-yl]-2-methylbutanenitrile
Identifiers:
SMILES:
CCC(C)(C#N)N=NC(C)(C#N)CC
InChI:
InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3
Key Properties
Melting Point
50 °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 | 192.27 g/mol | CAS Common Chemistry |
| 192.266 g/mol | RDKit | |
| 192.13749651199998 g/mol | RDKit | |
| Canonical SMILES | N#CC(N=NC(C#N)(C)CC)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AVTLBBWTUPQRAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50 °C | CAS Common Chemistry |
| Name | 2,2′-Azobis[2-methylbutyronitrile] | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | 2.8231600000000014 | RDKit |
| Molar Refractivity | 53.47400000000003 | RDKit |
