Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(aminoiminomethyl)-2-ben zoylphenyl ester, carbonate (1:1)

Modify Date: 2025-09-01 15:33:36

Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(aminoiminomethyl)-2-ben zoylphenyl ester, carbonate (1:1) structure	Common Name	Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(aminoiminomethyl)-2-ben zoylphenyl ester, carbonate (1:1)
	CAS Number	84436-15-7	Molecular Weight	463.44300
	Density	N/A	Boiling Point	697.4ºC at 760 mmHg
	Molecular Formula	C₂₃H₂₁N₅O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	375.5ºC

Name	Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-(aminoiminomethyl)-2-ben zoylphenyl ester, carbonate (1:1)

Boiling Point	697.4ºC at 760 mmHg
Molecular Formula	C₂₃H₂₁N₅O₆
Molecular Weight	463.44300
Flash Point	375.5ºC
Exact Mass	463.14900
PSA	212.67000
LogP	4.62170
InChIKey	ZREMOZKFSJHXIR-UHFFFAOYSA-N
SMILES	N=C(N)c1ccc(OC(=O)c2ccc(N=C(N)N)cc2)c(C(=O)c2ccccc2)c1.O=C(O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG2779020

CAS REGISTRY NUMBER :: 84436-15-7

LAST UPDATED :: 199606

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C22-H19-N5-O3.C-H2-O3

MOLECULAR WEIGHT :: 463.49

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 1700 mg/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4570006

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 192 mg/kg

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

REFERENCE :: USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4570006

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