butyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate

Modify Date: 2024-02-15 17:44:20

butyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate structure	Common Name	butyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
	CAS Number	107811-19-8	Molecular Weight	299.38900
	Density	1.192g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₃H₂₁N₃O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	butyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate

Density	1.192g/cm3
Molecular Formula	C₁₃H₂₁N₃O₃S
Molecular Weight	299.38900
Exact Mass	299.13000
PSA	112.91000
LogP	3.37300
Index of Refraction	1.54
InChIKey	XJYPGLWJPRJPCU-UHFFFAOYSA-N
SMILES	CCCCOC(=O)CCC(=O)Nc1nnc(C(C)C)s1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WM3694300

CHEMICAL NAME :: Succinamic acid, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, butyl ester

CAS REGISTRY NUMBER :: 107811-19-8

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H21-N3-O3-S

MOLECULAR WEIGHT :: 299.43

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 :: 2580 mg/kg

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

REFERENCE :: RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 50,30,1987

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