CYANOGUANIDINE
General Information
| Mainterm | CYANOGUANIDINE |
| CAS Reg.No.(or other ID) | 461-58-5 |
| Regnum |
175.105 175.300 178.2010 176.170 176.180 177.2600 177.2470 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 10005 |
| IUPAC Name | 2-cyanoguanidine |
| InChI | InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6) |
| InChI Key | QGBSISYHAICWAH-UHFFFAOYSA-N |
| Canonical SMILES | C(#N)N=C(N)N |
| Molecular Formula | NH2(NH)CNHCN |
| Wikipedia | dicyandiamide |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 84.082 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Complexity | 100.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Y B D 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 B A A Q A A A A A A A A A A A B A A J A A A A w A A A A J A A A A A E 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 A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 88.2 |
| Monoisotopic Mass | 84.044 |
| Exact Mass | 84.044 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| 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 | Guanidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Guanidines |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Imine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5. |
From ClassyFire