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Home Other Building Blocks 1,3-Dimethylbarbituric acid

1,3-Dimethylbarbituric acid

CAS No.:
769-42-6
Catalog Number:
AG003DKC
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>97%
In Stock USA
United States
$40
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Product Description
Catalog Number:
AG003DKC
Chemical Name:
1,3-Dimethylbarbituric acid
CAS Number:
769-42-6
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD00006675
IUPAC Name:
1,3-dimethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
InChI Key:
VVSASNKOFCZVES-UHFFFAOYSA-N
SMILES:
CN1C(=O)CC(=O)N(C1=O)C
EC Number:
212-211-7
NSC Number:
61918
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
New one-pot synthesis of spiro[furo[2,3-d]pyrimidine-6,5'-pyrimidine]pentaones and their sulfur analogues. Molecular diversity 20110801
Experimental and computational thermochemical study of barbituric acids: structure-energy relationship in 1,3-dimethylbarbituric acid. The journal of physical chemistry. A 20110414
Synthesis of 5-aryl-1,3-dimethyl-6-(alkyl- or aryl-amino) furo [2,3-d]pyrimidine derivatives by reaction between isocyanides and pyridinecarbaldehydes in the presence of 1,3-dimethylbarbituric acid. Molecular diversity 20110201
Sequential one-pot bimetallic Ir(III)/Pd(0) catalysed mono-/bis-alkylation and spirocyclisation processes of 1,3-dimethylbarbituric acid and allenes. Chemical communications (Cambridge, England) 20061228
Spectrophotometric kinetic and determination of quinones and barbiturates. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20011001
Properties