2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-N,N-diethylethanamine

Modify Date: 2024-01-08 21:13:46

2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-N,N-diethylethanamine structure	Common Name	2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-N,N-diethylethanamine
	CAS Number	110579-05-0	Molecular Weight	348.46300
	Density	1.19g/cm3	Boiling Point	495.1ºC at 760 mmHg
	Molecular Formula	C₁₇H₂₄N₄O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	253.2ºC

Name	2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-N,N-diethylethanamine
Synonym	More Synonyms

Density	1.19g/cm3
Boiling Point	495.1ºC at 760 mmHg
Molecular Formula	C₁₇H₂₄N₄O₂S
Molecular Weight	348.46300
Flash Point	253.2ºC
Exact Mass	348.16200
PSA	92.18000
LogP	4.10510
Vapour Pressure	6.1E-10mmHg at 25°C
Index of Refraction	1.596

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NI4802400

CHEMICAL NAME :: 1H-Imidazole, 5-((2-(diethylamino)ethyl)thio)-2-methyl-4-nitro-1-(p henylmethyl)-

CAS REGISTRY NUMBER :: 110579-05-0

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H24-N4-O2-S

MOLECULAR WEIGHT :: 348.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,403,1987

N/A

CAS#:77952-61-5

2-Chloro-N,N-di...

CAS#:100-35-6

~65%

2-(3-benzyl-2-m...

CAS#:110579-05-0

Literature: Iradyan, M. A.; Ayvazyan, A. Kh.; Mirzoyan, V. S.; Paronikyan, G. M.; Sarkisyan, T. P.; et al. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 6 p. 403 - 408 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 6 p. 667 - 672

Precursor 1
CAS#:100-35-6 2-Chloro-N,N-di...
DownStream 0

Ethanamine,N,N-diethyl-2-((2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl)thio)

1H-Imidazole,5-((2-(diethylamino)ethyl)thio)-2-methyl-4-nitro-1-(phenylmethyl)

1-(Phenylmethyl)-5-((2-(diethylamino)ethyl)thio)-2-methyl-4-nitro-1H-imidazole

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2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-N,N-diethylethanamine

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms