Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-
Basic information
- CAS
66968-90-9- Standard SMILES
CCC1(C(C)(C)[N+](=O)[O-])C(=O)NC(=O)NC1=O- InChIKey
QAMTVHWKBPAGTG-UHFFFAOYSA-N- Molecular formula
- C9H13N3O5
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.08552052
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-
- IUPAC
- 5-ethyl-5-(2-nitropropan-2-yl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-(1-methyl-1-nitroethyl)barbituric acid
- Molecular formula
- C9H13N3O5
- Molecular weight
- 243.22
Names & synonyms
BARBITURIC ACID, 5-ETHYL-5-(1-METHYL-1-NITROETHYL)-66968-90-9DTXSID20217178RefChem:1077658DTXCID20139669BRN 02630705-Ethyl-5-(1-methyl-1-nitroethyl)barbituric acid5-ethyl-5-(2-nitropropan-2-yl)-1,3-diazinane-2,4,6-trione5-Ethyl-5-(1-methyl-1-nitroethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-1-nitroethyl)-
Database identifiers
- CAS
66968-90-9- PubChem CID
- 48805
- DTXSID
DTXSID20217178- Nikkaji
- J105.600J
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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