1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxanilide,3,3a,6,6a,9,9a-hexahydro- (7CI,8CI)

Modify Date: 2024-09-16 15:59:33

1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxanilide,3,3a,6,6a,9,9a-hexahydro- (7CI,8CI) structure	Common Name	1,4,7,9b-Tetraazaphenalene-1,4,7(2H,5H,8H)-tricarboxanilide,3,3a,6,6a,9,9a-hexahydro- (7CI,8CI)
	CAS Number	10553-79-4	Molecular Weight	539.62800
	Density	1.39g/cm3	Boiling Point	870.1ºC at 760 mmHg
	Molecular Formula	C₃₀H₃₃N₇O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	480ºC

Name	hexahydro-1,4,7,9b-tetraaza-phenalene-1,4,7-tricarboxylic acid trianilide
Synonym	More Synonyms

Density	1.39g/cm3
Boiling Point	870.1ºC at 760 mmHg
Molecular Formula	C₃₀H₃₃N₇O₃
Molecular Weight	539.62800
Flash Point	480ºC
Exact Mass	539.26400
PSA	100.26000
LogP	5.05070
Vapour Pressure	1.01E-30mmHg at 25°C
Index of Refraction	1.714
InChIKey	KZABVRNPOUFTLG-UHFFFAOYSA-N
SMILES	O=C(Nc1ccccc1)N1CCC2N(C(=O)Nc3ccccc3)CCC3N(C(=O)Nc4ccccc4)CCC1N23

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XA5278000

CHEMICAL NAME :: 1,4,7,9b-Tetraazaphenalene, dodecahydro-1,4,7-tris(phenylcarbamoyl)-

CAS REGISTRY NUMBER :: 10553-79-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C30-H33-N7-O3

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 :: 130 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#05380

1,4,7-Tris-phenylcarbamoyl-dodecahydro-1,4,7,9b-tetraaza-phenalen

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