2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexene-1-carboxylic acid

Names

[ CAS No. ]:
160893-95-8

[ Name ]:
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexene-1-carboxylic acid

[Synonym ]:
1-Cyclohexene-1-carboxylic acid,2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)
2-((5-Methyl-1,3,4-thiadiazol-2-yl)amino)-1-cyclohexene-1-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.449g/cm3

[ Boiling Point ]:
419.4ºC at 760mmHg

[ Molecular Formula ]:
C10H13N3O2S

[ Molecular Weight ]:
239.29400

[ Flash Point ]:
207.4ºC

[ Exact Mass ]:
239.07300

[ PSA ]:
106.58000

[ LogP ]:
1.59300

[ Vapour Pressure ]:
8.76E-08mmHg at 25°C

[ Index of Refraction ]:
1.674

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW4567550
CHEMICAL NAME :
1-Cyclohexene-1-carboxylic acid, 2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-
CAS REGISTRY NUMBER :
160893-95-8
LAST UPDATED :
199603
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H13-N3-O2-S
MOLECULAR WEIGHT :
239.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 49,880,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 49,880,1994

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • Methyl 2-((5-bromo-2-(tritylamino)pyridin-3-yloxy)methyl)-4-fluorobenzoate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide