Ethanol,2-[(1-methylheptyl)amino]-, 1-(4-aminobenzoate), hydrochloride (1:1)

Modify Date: 2025-11-25 10:36:24

Ethanol,2-[(1-methylheptyl)amino]-, 1-(4-aminobenzoate), hydrochloride (1:1) structure	Common Name	Ethanol,2-[(1-methylheptyl)amino]-, 1-(4-aminobenzoate), hydrochloride (1:1)
	CAS Number	69781-30-2	Molecular Weight	328.87700
	Density	1.017g/cm3	Boiling Point	435.4ºC at 760mmHg
	Molecular Formula	C₁₇H₂₉ClN₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	217.1ºC

Name	2-(octan-2-ylamino)ethyl 4-aminobenzoate,hydrochloride

Density	1.017g/cm3
Boiling Point	435.4ºC at 760mmHg
Molecular Formula	C₁₇H₂₉ClN₂O₂
Molecular Weight	328.87700
Flash Point	217.1ºC
Exact Mass	328.19200
PSA	64.35000
LogP	5.14820
Index of Refraction	1.521
InChIKey	JFVYWBFHVFHVFE-UHFFFAOYSA-N
SMILES	CCCCCCC(C)NCCOC(=O)c1ccc(N)cc1.Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG2912000

CHEMICAL NAME :: Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride

CAS REGISTRY NUMBER :: 69781-30-2

LAST UPDATED :: 199107

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C17-H28-N2-O2.Cl-H

MOLECULAR WEIGHT :: 328.93

WISWESSER LINE NOTATION :: ZR DVO2MY6&1 &GH

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 :: 33 mg/kg

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

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: 90,181,1947

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 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: 66,1448,1944

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