4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one

Names

[ CAS No. ]:
129783-67-1

[ Name ]:
4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one

Chemical & Physical Properties

[ Density]:
1.11g/cm3

[ Boiling Point ]:
502.1ºC at 760 mmHg

[ Molecular Formula ]:
C19H29NO2S

[ Molecular Weight ]:
335.50400

[ Flash Point ]:
257.5ºC

[ Exact Mass ]:
335.19200

[ PSA ]:
74.63000

[ LogP ]:
4.49060

[ Vapour Pressure ]:
3.46E-12mmHg at 25°C

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM0013200
CHEMICAL NAME :
2H-1-Benzothiopyran-5-ol, 3,4-dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7 -pentyl-, (R)-
CAS REGISTRY NUMBER :
129783-67-1
LAST UPDATED :
199304
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H29-N-O2-S
MOLECULAR WEIGHT :
335.55

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 :
>1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 33,2865,1990

Related Compounds

  • 4-Benzyl-6-bromo-2-phenylphenol
  • Ethyl 2-((4-nitrophenoxy)carbonyloxy)acetate
  • Heptyl 2-naphthylacetate
  • 2,5-Dihexyl-3,6-bis(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
  • 4-Chloro-4-methyldecane
  • alpha-(Trifluoromethyl)-5-methylthiophene-2-methanol
  • Dipropyl pentylphosphonate
  • 2-[2-(4-Bromophenyl)ethoxy]ethanol
  • Pentyl butoxyacetate
  • 4,4,5,5-Tetramethyl-2-(tert-pentyl)-1,3,2-dioxaborolane
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