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5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione structure

CAS No:
83-29-4
Formula:
C9H14N2O3
Chemical Name:
5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-;Barbituric acid,5-(1-methylbutyl)-;5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(sec-Pentyl)barbituric acid;5-(1-Methylbutyl)barbituric acid;NSC 92501;4508-67-2

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5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Basic Attributes

Molecular Weight：

198.21900

Exact Mass：

198.22

EC Number：

201-465-4

NSC Number：

92501

Characteristics

PSA：

75.27000

XLogP3：

1.06240

Density：

1.144g/cm3

Melting Point：

166 °C

Refractive Index：

1.474

Computed Properties

Molecular Weight:198.22
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:198.10044231
Monoisotopic Mass:198.10044231
Topological Polar Surface Area:75.3
Heavy Atom Count:14
Complexity:255
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Basic Attributes
Characteristics
Computed Properties

5-(1-Methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

SDS

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