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

Modify Date: 2023-01-29 21:36:42

4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one Structure
4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one structure
Common Name 4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one
CAS Number 129783-67-1 Molecular Weight 335.50400
Density 1.11g/cm3 Boiling Point 502.1ºC at 760 mmHg
Molecular Formula C19H29NO2S Melting Point N/A
MSDS N/A Flash Point 257.5ºC

 Names

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
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