Barbital (C8H12N2O3)

barbital (C8H12N2O3; CAS 57-44-3) is a practical retrosynthesis target. barbital presents a C8 framework, an amide. Open AI route search in one click below.

Target: Barbital
CAS: 57-44-3
Formula: C8H12N2O3
Approx. MW: 184.20
SMILES: CCC1(CC)C(=O)NC(=O)NC1=O
PubChem CID: 2294
Approx. carbons: C8

Barbital structure

Properties

IUPAC name: 5,5-diethyl-1,3-diazinane-2,4,6-trione
Common names: barbital; Barbitone; 5,5-Diethylbarbituric acid; 57-44-3; Diethylmalonylurea; Ethylbarbital; Diemal; DEBA; DTXSID5022643; 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione
Molecular weight: 184.19
Exact mass: 184.08
InChIKey: FTOAOBMCPZCFFF-UHFFFAOYSA-N

View on PubChem

Barbital 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Barbital?

Barbital has molecular formula C8H12N2O3. Molecular weight about 184.20 g·mol⁻¹.

What is the CAS number of Barbital?

The CAS Registry Number for Barbital is 57-44-3.

Run AI retrosynthesis for Barbital Target catalog AI tools overview

Open the planner with Barbital preloaded, then keep routes that match CAS 57-44-3.

Related targets

Similar compounds

bemegride Methylpropylsuccinimide N-(butoxymethyl)acrylamide N-acetylhexosamine Octanohydroxamic Acid tert-Butyl N-(3-hydroxypropyl)carbamate

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.