Basic information
- CAS
7391-61-9- Standard SMILES
CCC1C(=O)N(C)C(=O)N(C)C1=O- InChIKey
QBCQXNDNMOHQIU-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.08479225
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-ethylbarbituric acid
- IUPAC
- 5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-ethyl-1,3-dimethylbarbituric acid
- Molecular formula
- C8H12N2O3
- Molecular weight
- 184.19248
Names & synonyms
1,3-Dimethyl-5-ethylbarbituric acid5-Ethyl-1,3-dimethylbarbituric acidBarbituric acid, 1,3-dimethyl-5-ethyl-Barbituric acid, 5-ethyl-1,3-dimethyl-EINECS 230-980-7NSC 1280992,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-BRN 017501957V098SX0DNSC-128099UNII-57V098SX0DDTXSID40224501
Show more names
1,3-Dimethyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
5-24-09-00121 (Beilstein Handbook Reference)5-Ethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:72717DTXCID00146992Barbituric acid, 5-ethyl-1,3-dimethyl-(8CI)2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-(9CI)QBCQXNDNMOHQIU-UHFFFAOYSA-N7391-61-9
Database identifiers
- CAS
7391-61-9- PubChem CID
- 23873
- DTXSID
DTXSID40224501- UNII
- 57V098SX0D
- EC Number
- 230-980-7
- Nikkaji
- J14.776A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- FDA UNII
- 57 V098SX0D · 57V098SX0D
Chemistry & industry
Suppliers1 total
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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