Basic information
- CAS
2373-84-4- Standard SMILES
C=CCC1(CC)C(=O)NC(=O)NC1=O- InChIKey
QPADNTZLUBYNEN-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479224
Overview
Etallobarbital is a member of barbiturates.
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-
- IUPAC
- 5-ethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-allyl-5-ethylbarbituric acid
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-RefChem:4428232,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-(9CI)EthallobarbitalAethallymalDorval2373-84-4etallobarbitalDormitiv5-Allyl-5-ethylbarbituric acid5-ethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trioneBarbituric acid, 5-allyl-5-ethyl-
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propen-1-yl)-
6F1R68CB4INSC-32312AethylalGo 1067EINECS 219-152-65-Aethyl-5-allylbarbitursaure [German]BRN 0167233UNII-6F1R68CB4I
Database identifiers
- CAS
2373-84-4- PubChem CID
- 48542
- DTXSID
DTXSID70178407- ChEMBL
CHEMBL1988479- ChEBI
CHEBI:136028- UNII
- 6F1R68CB4I
- EC Number
- 219-152-6
- Nikkaji
- J13.459G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
DrugsPharmaceuticals -> Barbiturates
Physicochemical properties
- Melting point
- 129 °C · 129 °C
- Boiling point
- 333.09 °C · 333.09°C (rough estimate)
- Density
- 1.2509 · 1.2509 (rough estimate)
- refractive index
- 1.5373 · 1.5373 (estimate)
- pka
- 7.8 · 7.80±0.10(Predicted)
- Water Solubility
- 4.774 g/L · 4.774g/L(25 ºC)
- FDA UNII
- 6 F1R68CB4I · 6F1R68CB4I
Safety & regulation
Hazard information
Other Safety InformationIMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-: Environment tier I assessment
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: Etallobarbital is a member of barbiturates.
Related reactions
4 records
Compound notes
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