5-Ethyl-5-(4-diethylamino-2-butynyl)barbituric acid hydrochloride

diethyl-[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)but-2-ynyl]azanium chloride

CAS: 1907-86-4

Molecular Formula	`C14H22ClN3O3`
Molecular Weight	315.79 g/mol
Topological Polar Surface Area	79.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	315.13498
Heavy Atoms	21
Complexity	449.0

Chemical Identifiers

CAS Number	1907-86-4
SMILES	`CCC1(C(=O)NC(=O)NC1=O)CC#CC[NH+](CC)CC.[Cl-]`
InChIKey	`XVOZTRVNPANHRB-UHFFFAOYSA-N`

📖 Product Overview

5-Ethyl-5-(4-diethylamino-2-butynyl)barbituric acid hydrochloride (CAS: 1907-86-4) is a chemical compound with molecular formula C14H22ClN3O3 and molecular weight 315.79 g/mol. Its IUPAC systematic name is diethyl-[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)but-2-ynyl]azanium chloride. Topological Polar Surface Area 79.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 315.13498 Heavy Atoms 21 Complexity 449.0 InChI Key: XVOZTRVNPANHRB-UHFFFAOYSA-N. SMILES: CCC1(C(=O)NC(=O)NC1=O)CC#CC[NH+](CC)CC.[Cl-].

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