1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, ethyl ester, ( Z)-2-butenedioate (1:1)

Modify Date: 2024-02-05 18:13:27

1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, ethyl ester, ( Z)-2-butenedioate (1:1) structure	Common Name	1-Piperazinecarboxylic acid, 4-(1H-benzimidazol-4-yl)-, ethyl ester, ( Z)-2-butenedioate (1:1)
	CAS Number	84806-83-7	Molecular Weight	390.39000
	Density	N/A	Boiling Point	530.8ºC at 760 mmHg
	Molecular Formula	C₁₈H₂₂N₄O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	274.8ºC

Name	Ethyl 4-(1H-benzimidazol-4-yl)-1-piperazinecarboxylate (2E)-2-but enedioate (1:1)

Boiling Point	530.8ºC at 760 mmHg
Molecular Formula	C₁₈H₂₂N₄O₆
Molecular Weight	390.39000
Flash Point	274.8ºC
Exact Mass	390.15400
PSA	136.06000
LogP	1.55610
InChIKey	HJCNCAGOAZNAQG-WLHGVMLRSA-N
SMILES	CCOC(=O)N1CCN(c2cccc3[nH]cnc23)CC1.O=C(O)C=CC(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TL1342125

CAS REGISTRY NUMBER :: 84806-83-7

LAST UPDATED :: 199606

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H18-N4-O2.C4-H4-O4

MOLECULAR WEIGHT :: 390.44

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 :: 160 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: #4459296

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