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

Modify Date: 2024-09-14 10:39:12

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

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

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

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