Nealbarbital structure

Nealbarbital

5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Also Known As: Nealbarbital|Nealbarbitone|Censedal|Neallymal|Nepental|Nevental|Nealbarbitalum|Neallylmalum|Nealbarbital [INN]|Allylneopentylbarbituric acid|Nealbarbital [INN:BAN]|5-Allyl-5-neopentylbarbituric acid|Nealbarbitalum [INN-Latin]|NEALBARBITAL [MI]|5-Neopentyl-5-allylbarbituric acid|NEALBARBITAL [WHO-DD]|5-Allyl-5-neopentylbarbitursaeure|Barbituric acid, 5-allyl-5-neopentyl-|EINECS 209-224-5|5-Allyl-5-neopentyl-barbitursaeure|NEOPENTYLALLYLBARBITURIC ACID|5-Allyl-5-(2,2-dimethylpropyl)barbituric acid|5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione|5-(2,2-Dimethylpropyl)-5-(2-propenyl)barbituric acid|5-Allyl-5-(2,2-dimethylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|5-Allyl-5-neopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione #|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2,2-dimethylpropyl)-5-(2-propenyl)-|5-(2,2-dimethylpropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione|5-(2,2-Dimethylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|209-224-5

CAS: 561-83-1
Molecular Formula C12H18N2O3
Molecular Weight 238.13174 g/mol
LogP 2.1
Topological Polar Surface Area 75.3 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 238.13174
Monoisotopic Mass 238.13174
Heavy Atoms 17
Complexity 360.0

Chemical Identifiers

CAS Number 561-83-1
SMILES CC(C)(C)CC1(C(=O)NC(=O)NC1=O)CC=C
InChIKey YHKPTICJRUESOY-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.

Analytical Reagents (2 patents) Biotechnology (1 patents) Organic Building Blocks (2 patents) Peptides & Amino Acids (1 patents) Pharmaceutical Intermediates (99 patents) Plastic Additives (6 patents) Polymer Intermediates (29 patents)

Product Overview

Nealbarbital (CAS 561-83-1), with molecular formula C12H18N2O3 and molecular weight 238.13174 g/mol. IUPAC: 5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

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