1,3-bis[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea

HCID 27281

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Basic information

CAS: 13284-07-6
Standard SMILES: CC(=NN=C(N)N)c1ccc(NC(=O)Nc2ccc(C(C)=NN=C(N)N)cc2)cc1
InChIKey: HCAQGQIHBFVVIX-UHFFFAOYSA-N
Molecular formula: C19H24N10O
Average molar mass: 408.5 g/mol
Monoisotopic mass: 408.21345543

Names & identifiers

Preferred name: 1,3-bis[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
IUPAC: 1,3-bis[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea

Names & synonyms

SCHEMBL13160507DTXSID2011382541,3-bis[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ureaQ225804512,2a(2)-[Carbonylbis(imino-4,1-phenyleneethylidyne)]bis[hydrazinecarboximidamide]2,2'-[Carbonylbis(azanediyl-4,1-phenyleneethan-1-yl-1-ylidene)]di(hydrazine-1-carboximidamide)

Database identifiers

CAS: 13284-07-6
PubChem CID: 27281
DTXSID: DTXSID201138254

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 195 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 632

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