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Molecule
Azobisisobutyronitrile
CAS: 78-67-1 · C8H12N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78-67-1
- Molecular Formula
- C8H12N4
- Molecular Mass
- 164.21 g/mol
Identifiers
CAS Registry Number
78-67-1
SMILES
CC(C)(C#N)N=NC(C)(C)C#N
InChI Key
OZAIFHULBGXAKX-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3
Names and Synonyms
- Azobisisobutyronitrile Common Name
- Propanenitrile, 2,2′-(1,2-diazenediyl)bis[2-methyl- Synonym
- Propionitrile, 2,2′-azobis[2-methyl- Synonym
- Propanenitrile, 2,2′-azobis[2-methyl- Synonym
- 2,2′-(1,2-Diazenediyl)bis[2-methylpropanenitrile] Synonym
- Aceto AZIB Synonym
- α,α′-Azobis(isobutyronitrile) Synonym
- 2,2′-Azobis[isobutyronitrile] Synonym
- α,α′-Azodiisobutyronitrile Synonym
- 2,2′-Azodiisobutyronitrile Synonym
- Azobisisobutyronitrile Synonym
- Azodiisobutyronitrile Synonym
- α,α′-Azodiisobutyric acid dinitrile Synonym
- AIBN Synonym
- AZDH Synonym
- 2,2′-Azobis(2-methylpropionitrile) Synonym
- Porofor N Synonym
- Pianofor An Synonym
- Vazo 64 Synonym
- 2,2′-Dimethyl-2,2′-azodipropionitrile Synonym
- ChKhZ 57 Synonym
- N,N′-Bis(2-cyano-2-propyl)diazene Synonym
- Genitron AZDN-FF Synonym
- 2,2′-Azobis[2-methylpropanenitrile] Synonym
- Genitron AZDN Synonym
- AZDN Synonym
- ChKhE 57 Synonym
- N,N′-Azobis(isobutyronitrile) Synonym
- V 60 (polymerization catalyst) Synonym
- V 60 Synonym
- Porofor ChKhZ 57 Synonym
- Perkadox AIBN Synonym
- KB-P 13 Synonym
- 2,2′-Azobis(2-cyanopropane) Synonym
- KE-P 13 Synonym
- ME 800 Synonym
- NSC 1496 Synonym
- NSC 68042 Synonym
- ABN-R Synonym
- Peroxan AZDN Synonym
- α,α′-Azoisobutyronitrile Synonym
- ABIN Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.21 g/mol | CAS Common Chemistry |
| 164.21200000000002 g/mol | RDKit | |
| 164.212 g/mol | RDKit | |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8003 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Azobisisobutyronitrile | CAS Common Chemistry |
| Boiling Point | >260 °C | CAS Common Chemistry |
| Canonical SMILES | N#CC(N=NC(C#N)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OZAIFHULBGXAKX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | Azobisisobutyronitrile | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 2.04296 | RDKit |
| 2.043 | RDKit | |
| Molar Refractivity | 44.24000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 164.106196384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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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.
External Resources
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MW = 164.21 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N4.
