Benzeneacetic acid, .alpha.-[2- (dimethylamino)propyl]-.alpha.-phenyl-, ethyl ester, hydrochloride

Modify Date: 2024-01-09 15:15:31

Benzeneacetic acid, .alpha.-[2- (dimethylamino)propyl]-.alpha.-phenyl-, ethyl ester, hydrochloride structure	Common Name	Benzeneacetic acid, .alpha.-[2- (dimethylamino)propyl]-.alpha.-phenyl-, ethyl ester, hydrochloride
	CAS Number	63979-45-3	Molecular Weight	325.44500
	Density	1.04g/cm3	Boiling Point	433.6ºC at 760 mmHg
	Molecular Formula	C₂₁H₂₇NO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	132ºC

Name	ethyl 4-(dimethylamino)-2,2-diphenylpentanoate

Density	1.04g/cm3
Boiling Point	433.6ºC at 760 mmHg
Molecular Formula	C₂₁H₂₇NO₂
Molecular Weight	325.44500
Flash Point	132ºC
Exact Mass	325.20400
PSA	29.54000
LogP	3.87600
Index of Refraction	1.536
InChIKey	QUKYIGPTBNWYDQ-UHFFFAOYSA-N
SMILES	CCOC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV6489000

CHEMICAL NAME :: Valeric acid, 4-(N,N-dimethylamino)-2,2-diphenyl-, ethyl ester, hydrochloride

CAS REGISTRY NUMBER :: 63979-45-3

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C21-H27-N-O2.Cl-H

MOLECULAR WEIGHT :: 361.95

WISWESSER LINE NOTATION :: 2OVXR&R&1Y1&N1&1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 49 mg/kg

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

REFERENCE :: JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 71,57,1949

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Behavioral - changes in motor activity (specific assay)

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 98,121,1950

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