Barbituric acid, 5-butyl-5-(2-piperidinoethyl)-, hydrochloride
Basic information
- CAS
109438-93-9- Standard SMILES
CCCCC1(CC[NH+]2CCCCC2)C(=O)NC(=O)NC1=O.[Cl-]- InChIKey
MJXWWXUXYQXSHV-UHFFFAOYSA-N- Molecular formula
- C15H26ClN3O3
- Average molar mass
- 331.84 g/mol
- Monoisotopic mass
- 331.1662694
Names & identifiers
- Preferred name
- Barbituric acid, 5-butyl-5-(2-piperidinoethyl)-, hydrochloride
- IUPAC
- 5-butyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione chloride
Names & synonyms
109438-93-95-Butyl-5-(2-piperidinoethyl)barbituric acid hydrochlorideBARBITURIC ACID, 5-BUTYL-5-(2-PIPERIDINOETHYL)-, HYDROCHLORIDERefChem:3207885-BUTYL-5-[2-(3,4,5,6-TETRAHYDRO-2H-PYRIDIN-1-YL)ETHYL]-1,3-DIAZINANE-2,4,6-TRIONE CHLORIDE5-butyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione;chloride
Database identifiers
- CAS
109438-93-9- PubChem CID
- 60319
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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