2,6-Pyridinedicarboxamide, 1,4-dihydro-N,N,1-tris(imino((imino(phenylamino)methyl)amino)methyl)-4-((imino((imino(phenylamino)methyl)amino)methyl)imino)-(9CI)

Modify Date: 2025-12-07 21:12:16

2,6-Pyridinedicarboxamide, 1,4-dihydro-N,N,1-tris(imino((imino(phenylamino)methyl)amino)methyl)-4-((imino((imino(phenylamino)methyl)amino)methyl)imino)-(9CI) structure	Common Name	2,6-Pyridinedicarboxamide, 1,4-dihydro-N,N,1-tris(imino((imino(phenylamino)methyl)amino)methyl)-4-((imino((imino(phenylamino)methyl)amino)methyl)imino)-(9CI)
	CAS Number	74050-92-3	Molecular Weight	820.86800
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₉H₄₀N₂₀O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2,6-Pyridinedicarboxamide, 1,4-dihydro-4-[3-(phenylamidinoamidino)imino]-N,N-1-tris(phenylamidinoamidino)

Molecular Formula	C₃₉H₄₀N₂₀O₂
Molecular Weight	820.86800
Exact Mass	820.36400
PSA	362.53000
LogP	6.41670
InChIKey	ZZMNCIGGPDIGKP-UHFFFAOYSA-N
SMILES	N=C(N=c1cc(C(=O)NC(=N)NC(=N)Nc2ccccc2)n(C(=N)NC(=N)Nc2ccccc2)c(C(=O)NC(=N)NC(=N)Nc2ccccc2)c1)NC(=N)Nc1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US7961800

CHEMICAL NAME :: 2,6-Pyridinedicarboxamide, 1,4-dihydro-4-(3-phenylamidinoamidinoimino)-N,N,1-tri s(phenyl amidinoamidino)-

CAS REGISTRY NUMBER :: 74050-92-3

BEILSTEIN REFERENCE NO. :: 0383415

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C39-H40-N20-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01976

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