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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.

External Resources

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

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