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-((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
  • 6-[3-(2-Carboxy-3-nitropyrazolo[1,5-a]pyrimidin-6-yl)-4-nitro-1H-pyrazol-5-yl]-3-nitropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
  • 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