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

Names

[ CAS No. ]:
110579-05-0

[ Name ]:
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-N,N-diethylethanamine

[Synonym ]:
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

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Chloro-N,N-diethylethanamine

DownStream

Related Compounds

  • 8-hydroxy-2-(trifluoromethyl)-6-Quinolinecarboxylic acid
  • 8-methoxy-2-(trifluoromethyl)-6-Quinolinecarboxylic acid
  • 4-chloro-2-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)Benzenamine
  • 4-Chloro-2-fluoro-7-benzofuranmethanol
  • 4-Chloro-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
  • 4-Chloro-5-(1-methyl-1H-pyrazol-5-yl)-2-(1H-pyrrol-1-yl)benzenamine
  • 4-Chloro-5-fluoro-3-methyl-2-thiophenecarboxylic acid
  • 4-Chloro-5-iodo-7H-pyrrolo[2,3-c]pyridazine
  • 4-Methyl-N3-[4-[5-(1,2,3-thiadiazol-5-yl)-3-pyridinyl]-2-pyrimidinyl]-1,3-benzenediamine
  • 9,10-Bis((oxiran-2-ylmethoxy)methyl)anthracene
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