Chemical substance record

Cyanoguanidine

461-58-5C₂H₄N₄84.082 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a cyano group. It is used in the manufacture of fertilizers, pharmaceuticals, explosives, oil well drilling muds, and dyestuffs. — ChEBI

Safety references

Safety documents & references

Supplier matching matters

Find the safety document for your specific supplier, product number and grade.

Find a product-specific SDS

Search SDS PDFs Sigma-Aldrich Thermo Fisher

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values

CAS number	461-58-5	ChEBI ↗
Molecular formula	C₂H₄N₄	ChEBI ↗
Molar mass	84.082 g/mol	ChEBI ↗
Monoisotopic mass	84.0436 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:147423	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	84.08 g/mol	PubChem ↗
Exact mass	84.043596145 Da	PubChem ↗
Computed XLogP	-1.2	PubChem ↗
Topological polar surface area (Å²)	88.2	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	0	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier

Source preferred name

cyanoguanidine

IUPAC name

1-cyanoguanidine

InChIKey

QGBSISYHAICWAH-UHFFFAOYSA-N

SMILES

N#CNC(=N)N

InChI

InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)

Names & synonyms

1-cyanoguanidineAdeka EH 3636Adeka EH 3636ASAraldite HT 986Araldite XB 2879BAraldite XB 2979BBakelite VE 2560Dyhard 100SEpicure DICY 15Epicure DICY 7Pyroset DOXB 2879B

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

nitrileChEBI parent class · 18379 ↗guanidinesChEBI parent class · 24436 ↗

organic molecular entity

Roles recorded in ChEBI

nitrification inhibitorfertilizerexplosivecuring agentflame retardant

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.0118932 mol

Uses 84.082 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

N

Nitrogen · 4 atoms

66.63%

C

Carbon · 2 atoms

28.57%

H

Hydrogen · 4 atoms

4.80%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Probing the binding properties of dicyandiamide with pepsin by spectroscopy and docking methods. ↗Chemosphere · 2017 Oct · PMID 28764101

Selective recognization of dicyandiamide in bovine milk by mesoporous silica SBA-15 supported dicyandiamide imprinted polymer based on surface molecularly imprinting technique. ↗Food chemistry · 2018 Feb 1 · PMID 28946251

Search PubMed Google Scholar

Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:147423

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 10005 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

How this record was assembled Suggest a correction