Basic information
- CAS
3625-21-6- Standard SMILES
C=CCC1(CC=C)C(=O)N(CC[NH+](CC)CC)C(=O)N(Cc2ccccc2)C1=O.[Cl-]- InChIKey
JMRQMEXAHPDOPY-UHFFFAOYSA-N- Molecular formula
- C23H32ClN3O3
- Average molar mass
- 434 g/mol
- Monoisotopic mass
- 433.2132196
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diallyl-1-benzyl-3-(2-(diethylamino)ethyl)-, hydrochloride
- IUPAC
- 2-[3-benzyl-2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl-diethylazanium chloride
Names & synonyms
3625-21-6BARBITURIC ACID, 5,5-DIALLYL-1-BENZYL-3-(2-(DIETHYLAMINO)ETHYL)-, HYDROCHLORIDERefChem:320638BB 5BB-5
Database identifiers
- CAS
3625-21-6- PubChem CID
- 19252
Properties
Computed structural properties
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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