Basic information
- CAS
14077-86-2- Standard SMILES
CCCCCCCCCC1C(=O)NC(=O)NC1=O- InChIKey
PDFZDDDFBSFXNI-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- Barbituric acid, 5-nonyl-
- IUPAC
- 5-nonyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Nonylbarbituric acid
- Molecular weight
- 0
Names & synonyms
Barbituric acid, 5-nonyl-14077-86-2NSC 925117JPE789Y2HNSC-92511UNII-7JPE789Y2HDTXSID101614745-NONYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-NONYL-RefChem:116483DTXCID00839655-Nonylbarbituric acid
Show more names
5-nonyl-1,3-diazinane-2,4,6-trioneNSC92511n-nonyl barbituric acidNCIOpen2_005893
Database identifiers
- CAS
14077-86-2- PubChem CID
- 96898
- DTXSID
DTXSID10161474- UNII
- 7JPE789Y2H
- Nikkaji
- J54.592I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- FDA UNII
- 7 JPE789Y2H · 7JPE789Y2H
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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