2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-

Modify Date: 2025-09-18 10:00:46

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)- structure	Common Name	2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-
	CAS Number	83-29-4	Molecular Weight	198.21900
	Density	1.144g/cm3	Boiling Point	N/A
	Molecular Formula	C₉H₁₄N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Synonym	More Synonyms

Density	1.144g/cm3
Molecular Formula	C₉H₁₄N₂O₃
Molecular Weight	198.21900
Exact Mass	198.10000
PSA	75.27000
LogP	1.06240
Index of Refraction	1.474
InChIKey	QSELDKYOARDOCZ-UHFFFAOYSA-N
SMILES	CCCC(C)C1C(=O)NC(=O)NC1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CQ7171700

CHEMICAL NAME :: Barbituric acid, 5-(1-methylbutyl)-

CAS REGISTRY NUMBER :: 83-29-4

BEILSTEIN REFERENCE NO. :: 0187936

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H14-N2-O3

MOLECULAR WEIGHT :: 198.25

WISWESSER LINE NOTATION :: T6VMVMV FHJ FY3&1

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 :: 180 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04623

Barbituric acid

CAS#:67-52-7

Pentan-2-one

CAS#:107-87-9

2,4,6(1H,3H,5H)...

CAS#:83-29-4

Literature: Hoffmann-La Roche Patent: US2446503 , 1945 ;

diethyl (1-meth...

CAS#:117-47-5

2,4,6(1H,3H,5H)...

CAS#:83-29-4

Literature: E. Lilly and Co. Patent: US1954429 , 1934 ; Full Text Show Details Holmberg Acta Chemica Scandinavica (1947-1973), 1958 , vol. 12, p. 229,230

Diethyl ethylid...

CAS#:1462-12-0

2,4,6(1H,3H,5H)...

CAS#:83-29-4

Literature: Holmberg Acta Chemica Scandinavica (1947-1973), 1958 , vol. 12, p. 229,230

2-Bromopentane

CAS#:107-81-3

2,4,6(1H,3H,5H)...

CAS#:83-29-4

Literature: E. Lilly and Co. Patent: US1954429 , 1934 ;

SECOBARBITAL

CAS#:76-73-3

Pent-1-ene

CAS#:109-67-1

2,4,6(1H,3H,5H)...

CAS#:83-29-4

2,4,6(1H,3H,5H)...

CAS#:2565-43-7

Detail

Literature: Barton; Bojarski Pharmazie, 1983 , vol. 38, # 9 p. 630 - 631

Precursor 6
CAS#:67-52-7 Barbituric acid CAS#:107-87-9 Pentan-2-one CAS#:117-47-5 diethyl (1-meth... CAS#:1462-12-0 Diethyl ethylid...
CAS#:107-81-3 2-Bromopentane CAS#:76-73-3 SECOBARBITAL
DownStream 0

einecs 201-465-4

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Product Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-
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Purity: 98.0%
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2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.