Basic information
- CAS
1907-86-4- Standard SMILES
CC[NH+](CC)CC#CCC1(CC)C(=O)NC(=O)NC1=O.[Cl-]- InChIKey
XVOZTRVNPANHRB-UHFFFAOYSA-N- Molecular formula
- C14H22ClN3O3
- Average molar mass
- 315.79 g/mol
- Monoisotopic mass
- 315.1349693
Names & identifiers
- Preferred name
- Barbituric acid, 5-(4-(diethylamino)-2-butynyl)-5-ethyl-, hydrochloride
- IUPAC
- diethyl-[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)but-2-ynyl]azanium chloride
Names & synonyms
5-Ethyl-5-(4-diethylamino-2-butynyl)barbituric acid hydrochloride5-(4-(Diethylamino)-2-butynyl)-5-ethylbarbituric acid hydrochlorideBARBITURIC ACID, 5-(4-(DIETHYLAMINO)-2-BUTYNYL)-5-ETHYL-, HYDROCHLORIDE1907-86-4RefChem:320697
Database identifiers
- CAS
1907-86-4- PubChem CID
- 15932
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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