1-[4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminoguanidine
Basic information
- CAS
1945-63-7- Standard SMILES
N=C(N)N=Nc1ccc(NN=C(N)N)cc1- InChIKey
XRDACVXCOKISDA-UHFFFAOYSA-N- Molecular formula
- C8H12N8
- Average molar mass
- 220.24 g/mol
- Monoisotopic mass
- 220.11849242
Names & identifiers
- Preferred name
- 1-[4-[2-(Diaminomethylidene)hydrazinyl]phenyl]iminoguanidine
- IUPAC
- 1-[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminoguanidine
- English name
- Ambazone Impurity 2
- Molecular formula
- C8H12N8
- Molecular weight
- 220.23
Names & synonyms
1945-63-71-[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminoguanidineAmbazone Impurity 2Hydrazinecarboximidamide, 2,2'-(2,5-cyclohexadiene-1,4-diylidene)bis-1,1'-(2,5-Cyclohexadiene-1,4-diylidenedinitrilo)di-guanidineCHEMBL1162348CHEMBL3250317SCHEMBL11630899HMS1787D22p-benzoquinone-bis(guanylhydrazone)2,2'-(2,5-Cyclohexadiene-1,4-diylidene)bis(hydrozinecarboximidamideAKOS000987619
Show more names
AKOS002783626Z56753965
Database identifiers
- CAS
1945-63-7- PubChem CID
- 152146
- ChEMBL
CHEMBL1162348、CHEMBL3250317
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 358.2 · 358.2±52.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.70(Predicted)
Chemistry & industry
Applications
Uses1,1''-(2,5-Cyclohexadiene-1,4-diylidenedinitrilo)di-guanidine is an impurity of Ambazone (A575840), a benzoquidine diimine derivative useful as animal growth substance.
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Related reactions
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Compound notes
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