Products for Research Use Only
RegisterLogin

5-Isobutylbarbituric Acid

CAT: 0572-TRC-I780145-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-I780145-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
42846-91-3
Synonyms
5-(2-Methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Isobutyl-barbituric Acid; 5-(2-Methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Hazard Statement
No Data Available
Smiles
O=C(NC(C1CC(C)C)=O)NC1=O
Molecular Formula
C8H12N2O3
Molecular Weight
184.19
InChI
InChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4-5H,3H2,1-2H3,(H2,9,10,11,12,13)
Additionnal Information
IUPAC name: 5-isobutylpyrimidine-2,4,6(1H,3H,5H)-trione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-
CAS Number42846-91-3
PubChem CID170693
IUPAC Name5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Molecular FormulaC8H12N2O3
Molecular Weight184.19
XLogP0.4
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity240
SMILES
CC(C)CC1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4-5H,3H2,1-2H3,(H2,9,10,11,12,13)
InChIKey
CZERPPISCPPWRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-
CAS: 42846-91-3
CID: 170693
Formula: C8H12N2O3
MW: 184.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.19
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass184.08479225
Monoisotopic Mass184.08479225
Topological Polar Surface Area75.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-D426510-5G5,5-Dibromobarbituric Acid
TRC-D426510-10G5,5-Dibromobarbituric Acid
TRC-D426510-1G5,5-Dibromobarbituric Acid
TRC-P274360-10MGPentanoic-5,5,5-d3 Acid
TRC-P274360-100MGPentanoic-5,5,5-d3 Acid
TRC-P274360-50MGPentanoic-5,5,5-d3 Acid
A9199705-Azidopentanoic Acid
TRC-C125330-10MG5-carbamoylpentanoic acid
TRC-B184950-100MG5-Benzamidolevulinic Acid
TRC-M228015-50MG5-methoxypentanoic acid

Alternative Products

CatalogName
PC4455-015,5,5-Trifluoropentanoic acid
437116-015,5,5-Trifluorovaleric Acid
ZAA49980-015,5-Dimethylhexanoic acid
CCA14621-015,5-Dimethylheptanoic acid
FT62679-015,5'-Thiodisalicylic Acid
9040015,5‐DIBROMOBARBITURIC ACID
OR1011761-015,5-Thiodisalicylic Acid
FD32829-015,5-Dibromobarbituric acid
OR1047164-015,5'-Oxydiisophthalic acid
OR1049742-015,5'-Sulfonyldiisophthalic acid

Popular Products