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Azobisisobutyronitrile
CAS: 78-67-1 | C8H12N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-67-1
Molecular Formula:
C8H12N4
Molecular Weight:
164.21200000000002 g/mol
Names and Synonyms:
Azobisisobutyronitrile
ABIN
α,α′-Azoisobutyronitrile
Peroxan AZDN
ABN-R
NSC 68042
NSC 1496
ME 800
KE-P 13
2,2′-Azobis(2-cyanopropane)
KB-P 13
Perkadox AIBN
Porofor ChKhZ 57
V 60
V 60 (polymerization catalyst)
N,N′-Azobis(isobutyronitrile)
ChKhE 57
AZDN
Genitron AZDN
2,2′-Azobis[2-methylpropanenitrile]
Genitron AZDN-FF
N,N′-Bis(2-cyano-2-propyl)diazene
ChKhZ 57
2,2′-Dimethyl-2,2′-azodipropionitrile
Vazo 64
Pianofor An
Porofor N
2,2′-Azobis(2-methylpropionitrile)
AZDH
AIBN
α,α′-Azodiisobutyric acid dinitrile
Azodiisobutyronitrile
Azobisisobutyronitrile
2,2′-Azodiisobutyronitrile
α,α′-Azodiisobutyronitrile
2,2′-Azobis[isobutyronitrile]
α,α′-Azobis(isobutyronitrile)
Aceto AZIB
2,2′-(1,2-Diazenediyl)bis[2-methylpropanenitrile]
Propanenitrile, 2,2′-azobis[2-methyl-
Propionitrile, 2,2′-azobis[2-methyl-
Propanenitrile, 2,2′-(1,2-diazenediyl)bis[2-methyl-
Identifiers:
SMILES:
CC(C)(C#N)N=NC(C)(C)C#N
InChI:
InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 164.21 g/mol | Legacy Database |
| density | 0.80 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Azobisisobutyronitrile None | Legacy Database |
| cas-boiling-point | >260 °C None | Legacy Database |
| cas-canonical-smile | N#CC(N=NC(C#N)(C)C)(C)C None | Legacy Database |
| cas-density | 0.8003 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OZAIFHULBGXAKX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 105 °C None | Legacy Database |
| cas-name | Azobisisobutyronitrile None | Legacy Database |
| wikipedia-name | Azobisisobutyronitrile None | Legacy Database |
| LogP | 2.04296 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 164.21200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 164.106196384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 72.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.24000000000002 | RDKit |
