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

Modify Date: 2026-09-15 22:42:12

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

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

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

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~%

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

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

CAS#:83-29-4

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

~%

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

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

CAS#:83-29-4

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

~%

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

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

CAS#:83-29-4

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

~%

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

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

CAS#:83-29-4

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

~%

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

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

CAS#:83-29-4

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

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  6

DownStream  0

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

einecs 201-465-4

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: Polar surface area (PSA) of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is 75.27000.
Q: What are the upstream materials of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: Related upstream materials(CAS) of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione: 67-52-7;107-87-9;117-47-5;1462-12-0;107-81-3;76-73-3.
Q: What is the molecular formula of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: Molecular formula of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is C9H14N2O3.
Q: What is the LogP of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: LogP of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is 1.06240.
Q: What is the SMILES notation of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: SMILES notation of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is CCCC(C)C1C(=O)NC(=O)NC1=O.
Q: What English synonyms does 5-pentan-2-yl-1,3-diazinane-2,4,6-trione have?
A: English synonyms of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione: einecs 201-465-4.
Q: What is the English name of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: The English name of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is 5-pentan-2-yl-1,3-diazinane-2,4,6-trione.
Q: What is the molecular weight of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: Molecular weight of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is 198.21900.
Q: What is the CAS number of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: CAS number of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is 83-29-4.
Q: What is the InChIKey of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
A: InChIKey of 5-pentan-2-yl-1,3-diazinane-2,4,6-trione is QSELDKYOARDOCZ-UHFFFAOYSA-N.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.
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