Aprobarbital

Base Information Edit

Chemical Name:Aprobarbital
CAS No.:77-02-1
Molecular Formula:C10H14 N2 O3
Molecular Weight:210.233
Hs Code.:
European Community (EC) Number:200-997-4
NSC Number:120769
UNII:Q0YKG9L6RF
DSSTox Substance ID:DTXSID8022616
Nikkaji Number:J38.379A
Wikipedia:Aprobarbital
Wikidata:Q411940
NCI Thesaurus Code:C76525
Metabolomics Workbench ID:43513
ChEMBL ID:CHEMBL7863
Mol file:77-02-1.mol

Synonyms:allylpropymal;allylpropymal, monosodium salt;aprobarbital;aprobarbitone

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Chemical Property of Aprobarbital Edit

Chemical Property:

Melting Point:140-141.5°
Refractive Index:1.5000 (estimate)
Boiling Point:349.75°C (rough estimate)
PKA:7.81±0.10(Predicted)
PSA：75.27000
Density:1.2056 (rough estimate)
LogP:1.22850
Storage Temp.:2-8°C
Water Solubility.:4.121g/L(25 oC)
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:210.10044231
Heavy Atom Count:15
Complexity:314

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:F,T
Statements: 11-23/25-36/38
Safety Statements: 16-24-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1(C(=O)NC(=O)NC1=O)CC=C
Therapeutic Function Sedative, Hypnotic

Technology Process of Aprobarbital

There total 3 articles about Aprobarbital which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: