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Malonaldehyde-bis-guanylhydrazone

HCID 9561671
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Basic information

CAS
1945-62-6
Standard SMILES
NC(N)=N/N=C/C/C=N/N=C(N)N
InChIKey
PYWCBNBYRHAQPT-NXOFHUPFSA-N
Molecular formula
C5H12N8
Average molar mass
184.2 g/mol
Monoisotopic mass
184.11849242

Names & identifiers

Preferred name
Malonaldehyde-bis-guanylhydrazone
IUPAC
2-[(E)-[(3E)-3-(diaminomethylidenehydrazinylidene)propylidene]amino]guanidine

Names & synonyms

BRN 1879066Malonaldehyde-bis-guanylhydrazone1,1'-((1,3-Propanediylidene)dinitrilo)diguanidineCHEMBL3250315Guanidine, 1,1'-((1,3-propanediylidene)dinitrilo)di-Hydrazinecarboximidamide, 2,2'-(1,3-propanediylidene)bis-1945-62-6

Database identifiers

CAS
1945-62-6
PubChem CID
9561671
ChEMBL
CHEMBL3250315

Properties

Computed structural properties

XLogP
-2.5
Topological polar surface area
154 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
215

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Compound notes

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