Basic information
- CAS
1952-67-6- Standard SMILES
CC=CCC1(CC)C(=O)NC(=O)NC1=O- InChIKey
KNMOHCLEINXVBG-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Names & identifiers
- Preferred name
- 5-Athyl-5-crotylbarbitursaure
- IUPAC
- 5-but-2-enyl-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-butenyl)-5-ethyl-1H,3H,5H-pyrimidine-2,4,6-trione
- Molecular formula
- C10H14N2O3
- Molecular weight
- 210.23
Names & synonyms
5-Athyl-5-crotylbarbitursaureSCHEMBL2285746DTXSID90905095NS000079645-(BUT-2-EN-1-YL)-5-ETHYL-1,3-DIAZINANE-2,4,6-TRIONEcrotarbitalBarbituric acid, 5- (2-butenyl)-5-ethyl-5-(2-butenyl)-5-ethyl-1H,3H,5H-pyrimidine-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-buten-1-yl)-5-ethyl-
Database identifiers
- CAS
1952-67-6- PubChem CID
- 18045
- DTXSID
DTXSID90905095
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- FDA UNII
- 2 HL5JU7 · SXW2HL5JU7
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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