4,5-DICYANO-1H-IMIDAZOLE-2-DIAZONIUM CHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID80886743

Structure

InChI Key MHYOXJBRHRHKKQ-UHFFFAOYSA-M
Smiles [Cl-].N#CC=1N=C([N+]#N)NC1C#N
InChI
InChI=1/C5HN6.ClH/c6-1-3-4(2-7)10-5(9-3)11-8;/h(H,9,10);1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5HN6
Molecular Weight 180.0
AlogP -2.36
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 104.41
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 65151-64-6
NORMAN SUSDAT
PubChem 103281
CONTENTS