AZO-BIS-ISOBUTYRONITRILE
General Information
| Mainterm | AZO-BIS-ISOBUTYRONITRILE |
| CAS Reg.No.(or other ID) | 78-67-1 |
| Regnum |
175.105 176.170 177.2420 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 6547 |
| IUPAC Name | 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3 |
| InChI Key | OZAIFHULBGXAKX-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C#N)N=NC(C)(C)C#N |
| Molecular Formula | C8H12N4 |
| Wikipedia | 2,2'-azobisisobutyronitrile |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 164.212 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Complexity | 251.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B z g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H A A I A A A A D I i B A A A C A A A A A A A S B A A A A A A A A A A A A A A A A A A A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 72.3 |
| Monoisotopic Mass | 164.106 |
| Exact Mass | 164.106 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Azo compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azo compounds |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as azo compounds. These are derivatives of diazene(diimide), HN=NH, wherein both hydrogens are substituted by hydrocarbyl groups, e.g. PhN=NPh azobenzene or diphenyldiazene. |
From ClassyFire