1,3-Dicyanoguanidine

HCID 407653

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Basic information

CAS: 2133-83-7
Standard SMILES: N#CN=C(N)NC#N
InChIKey: CXCSZVYZVSDARW-UHFFFAOYSA-N
Molecular formula: C3H3N5
Average molar mass: 109.09 g/mol
Monoisotopic mass: 109.03884512

Names & identifiers

Preferred name: 1,3-Dicyanoguanidine
IUPAC: 1,2-dicyanoguanidine

Names & synonyms

1,3-dicyanoguanidineNSC81452133-83-71.3-Dicyan-guanidinN,N'-Dicyanoguanidine(2,1-dicyano)guanidineSCHEMBL1191168SCHEMBL2128116SCHEMBL2128121SCHEMBL9186924DTXSID601034181AKOS006360219

Database identifiers

CAS: 2133-83-7、6291-79-8
PubChem CID: 407653
DTXSID: DTXSID601034181

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 98 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 184

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