Basic information
- CAS
32479-73-5- Standard SMILES
CCN1C(=O)CC(=O)N(CC)C1=O- InChIKey
XUCMDLYIYOXEBF-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.08479224
Names & identifiers
- Preferred name
- 1,3-Diethylbarbituric acid
- IUPAC
- 1,3-diethyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Diethylpyrimidine-2,4,6(1H,3H,5H)-trione
- Molecular formula
- C8H12N2O3
- Molecular weight
- 184.19
Names & synonyms
1,3-Diethylbarbituric acidR9T7WIB0K9EINECS 251-064-3UNII-R9T7WIB0K9DTXSID00186212N,N'-DIETHYLBARBITURIC ACID1,3-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:72658DTXCID10108703251-064-332479-73-51,3-diethyl-1,3-diazinane-2,4,6-trione
Show more names
Itraphylline impuritieAQ
1,3-diethylpyrimidine-2,4,6(1H,3H,5H)-trioneSCHEMBL1413022,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-diethyl-DB-126732NS000292841,3-Diethyl-2,4,6-(1H,3H,5H)-Pyrimidinetrione1,3-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #Pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-diethyl-
Database identifiers
- CAS
32479-73-5- PubChem CID
- 122889
- DTXSID
DTXSID00186212- UNII
- R9T7WIB0K9
- EC Number
- 251-064-3
- Nikkaji
- J20.260F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- FDA UNII
- 9 T7WIB0K9 · R9T7WIB0K9
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
Chemistry & industry
Applications
Uses1,3-Diethylbarbituric Acid can be used as reactant/reagent in green preparation of spiropyran derivatives via three-component cyclization of indantrione with active methylene compounds and cyclic diketones in the presence of compact fluorescent lamp.
Suppliers6 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海朗旭生物科技有限公司+86-021-50800795 13816874662 · [email protected]
Related reactions
2 records
Compound notes
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