4-(2-Amino-2-(4-methylphenyl)ethyl)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt)

Modify Date: 2025-11-27 19:49:15

4-(2-Amino-2-(4-methylphenyl)ethyl)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt) structure	Common Name	4-(2-Amino-2-(4-methylphenyl)ethyl)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt)
	CAS Number	87203-73-4	Molecular Weight	341.35800
	Density	1.308g/cm3	Boiling Point	550.9ºC at 760 mmHg
	Molecular Formula	C₁₉H₁₉NO₅	Melting Point	N/A
	MSDS	N/A	Flash Point	287ºC

Name	(2E)-4-{4-[2-Amino-2-(4-methylphenyl)ethyl]-2-hydroxyphenoxy}-4-o xo-2-butenoic acid

Density	1.308g/cm3
Boiling Point	550.9ºC at 760 mmHg
Molecular Formula	C₁₉H₁₉NO₅
Molecular Weight	341.35800
Flash Point	287ºC
Exact Mass	341.12600
PSA	109.85000
LogP	3.18960
Index of Refraction	1.629
InChIKey	URHHVEOFQSZTGU-CMDGGOBGSA-N
SMILES	Cc1ccc(C(N)Cc2ccc(OC(=O)C=CC(=O)O)c(O)c2)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ8728000

CAS REGISTRY NUMBER :: 87203-73-4

LAST UPDATED :: 198912

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H17-N-O2.C4-H4-O4

MOLECULAR WEIGHT :: 359.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 111 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 48,1447,1983

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