Cas no 94820-42-5 (5-Pyrimidinecarboxylicacid, 1-butyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester)
94820-42-5 structure
Product Name:5-Pyrimidinecarboxylicacid, 1-butyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester
CAS No:94820-42-5
MF:C11H16N2O4
MW:240.255743026733
CID:798853
PubChem ID:57356868
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 1-butyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-CARBETHOXY-3-N-BUTYLURACIL
- 5-Pyrimidinecarboxylicacid, 1-butyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester
- ethyl 3-butyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
- DTXSID40723463
- Ethyl 3-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- 94820-42-5
- TQP0390
-
- Inchi： 1S/C11H16N2O4/c1-3-5-6-13-9(14)8(7-12-11(13)16)10(15)17-4-2/h7H,3-6H2,1-2H3,(H,12,16)
- InChI Key： ROTUGGXSODIZNW-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)OCC)=CNC(N1CCCC)=O
Computed Properties
- Exact Mass: 240.11100700g/mol
- Monoisotopic Mass: 240.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 363
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 75.7?2
5-Pyrimidinecarboxylicacid, 1-butyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
94820-42-5 (5-Pyrimidinecarboxylicacid, 1-butyl-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester) Related Products
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