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

  • 1-(3-Methoxy-5-methylpyridin-2-yl)ethanone
  • (2S)-1-(1,4-dimethyl-1H-pyrazol-5-yl)propan-2-amine
  • (2R)-2-amino-3-(dimethyl-1H-1,2,4-triazol-5-yl)propanoic acid
  • [1-(6-Bromopyridin-2-yl)cyclopentyl]methanamine
  • 3,4-Difluoro-2-(trifluoromethyl)benzonitrile
  • 1-(2-ethoxyethyl)-4-(2-thienyl)-4,7-dihydrofuro[3,4-d]pyrimidine-2,5(1H,3H)-dione
  • [5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-carbamic acid sec-butyl ester
  • 1-(5-Bromo-2-thiazolyl)cyclopropanecarboxylic acid methyl ester
  • (1S)-1-(1-ethyl-1H-imidazol-2-yl)ethan-1-amine
  • N-(2-chlorophenyl)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxamide
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