Basic information
- CAS
110459-52-4- Standard SMILES
CCCCCCCC1(CC[NH+]2CCCCC2)C(=O)NC(=O)NC1=O.[Cl-]- InChIKey
XNJKINGTRXXUEL-UHFFFAOYSA-N- Molecular formula
- C18H32ClN3O3
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.2132196
Names & identifiers
- Preferred name
- Barbituric acid, 5-heptyl-5-(2-piperidinoethyl)-, hydrochloride
- IUPAC
- 5-heptyl-5-(2-piperidin-1-ium-1-ylethyl)-1,3-diazinane-2,4,6-trione chloride
Names & synonyms
5-Heptyl-5-(2-piperidinoethyl)barbituric acid hydrochloride110459-52-4BARBITURIC ACID, 5-HEPTYL-5-(2-PIPERIDINOETHYL)-, HYDROCHLORIDERefChem:320851
Database identifiers
- CAS
110459-52-4- PubChem CID
- 60446
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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