N-(2-(2-(1-Butyl-4,5-dicyano-1H-imidazol-2-yl)diazenyl)-5-(dibutylamino)phenyl)acetamide

HCID 86283

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Basic information

CAS: 107689-03-2
Standard SMILES: CCCCN(CCCC)c1ccc(N=Nc2nc(C#N)c(C#N)n2CCCC)c(NC(C)=O)c1
InChIKey: IUCPKGKRKZUBOZ-UHFFFAOYSA-N
Molecular formula: C25H34N8O
Average molar mass: 462.6 g/mol
Monoisotopic mass: 462.28555774

Names & identifiers

Preferred name: N-(2-(2-(1-Butyl-4,5-dicyano-1H-imidazol-2-yl)diazenyl)-5-(dibutylamino)phenyl)acetamide
IUPAC: N-[2-[(1-butyl-4,5-dicyanoimidazol-2-yl)diazenyl]-5-(dibutylamino)phenyl]acetamide

Names & synonyms

107689-03-2N-(2-(2-(1-Butyl-4,5-dicyano-1H-imidazol-2-yl)diazenyl)-5-(dibutylamino)phenyl)acetamideN-[2-[2-(1-Butyl-4,5-dicyano-1H-imidazol-2-yl)diazenyl]-5-(dibutylamino)phenyl]acetamideRefChem:360286Acetamide, N-(2-((1-butyl-4,5-dicyano-1H-imidazol-2-yl)azo)-5-(dibutylamino)phenyl)-Acetamide, N-[2-[(1-butyl-4,5-dicyano-1H-imidazol-2-yl)azo]-5-(dibutylamino)phenyl]-DTXSID4073041SCHEMBL10021952IUCPKGKRKZUBOZ-UHFFFAOYSA-NAcetamide, N-(2-(2-(1-butyl-4,5-dicyano-1H-imidazol-2-yl)diazenyl)-5-(dibutylamino)phenyl)-N-{2-[(1-Butyl-4,5-dicyano-1H-imidazol-2-yl)diazenyl]-5-(dibutylamino)phenyl}acetamide

Database identifiers

CAS: 107689-03-2
PubChem CID: 86283
DTXSID: DTXSID4073041
EC Number: 417-520-2
Nikkaji: J1.555.883K

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 122 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 13
Heavy atoms: 34
Formal charge: 0
Complexity: 745

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: N-[2-[(1-butyl-4,5-dicyano-1H-imidazol-2-yl)azo]-5-(dibutylamino)phenyl] (EC: 417-520-2)

Hazard Classes and CategoriesAquatic Chronic 4 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, N-[2-[2-(1-butyl-4,5-dicyano-1H-imidazol-2-yl)diazenyl]-5-(dibutylamino)phenyl]-: ACTIVE

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Compound notes

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