2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethanamine

Modify Date: 2024-04-02 16:09:04

2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethanamine structure	Common Name	2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethanamine
	CAS Number	123886-71-5	Molecular Weight	403.51300
	Density	1.113g/cm3	Boiling Point	514.6ºC at 760mmHg
	Molecular Formula	C₂₆H₂₉NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	264.5ºC

Name	2-[4-[(3S,4S)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl]phenoxy]ethanamine
Synonym	More Synonyms

Density	1.113g/cm3
Boiling Point	514.6ºC at 760mmHg
Molecular Formula	C₂₆H₂₉NO₃
Molecular Weight	403.51300
Flash Point	264.5ºC
Exact Mass	403.21500
PSA	53.71000
LogP	5.81970
Vapour Pressure	1.07E-10mmHg at 25°C
Index of Refraction	1.575
InChIKey	YWEKRBXPCZYEBB-LOSJGSFVSA-N
SMILES	COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KH2347500

CHEMICAL NAME :: Ethanamine, 2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H- 1-benzopyran-4-yl)phe noxy)-, hydrochloride, trans-

CAS REGISTRY NUMBER :: 123886-71-5

LAST UPDATED :: 199112

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C26-H29-N-O3.Cl-H

MOLECULAR WEIGHT :: 440.02

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJSIDW Indian Journal of Pharmaceutical Sciences. (Kalina, Santa Cruz (East), Bombay 400 029, India) V.40(2)- 1978- Volume(issue)/page/year: 51,48,1989

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IJSIDW Indian Journal of Pharmaceutical Sciences. (Kalina, Santa Cruz (East), Bombay 400 029, India) V.40(2)- 1978- Volume(issue)/page/year: 51,48,1989

Ethanamine,2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-,hydrochloride,trans

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