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

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

CAS No:
115-58-2
Formula:
C11H18N2O3
Chemical Name:
5-Ethyl-5-pentyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-pentyl-;Barbituric acid,5-ethyl-5-pentyl-;Barbituric acid,5-amyl-5-ethyl-;5-Ethyl-5-pentyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Ethyl-5-pentylbarbituric acid;5-Ethyl-5-n-pentylbarbituric acid;Amylbarbital;NSC 125478;NSC 125761;NSC 32305

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

Molecular Weight：

226.276

Exact Mass：

226.27

UNII：

NIZ732TDE0

NSC Number：

125761|125478|32305

DSSTox ID：

DTXSID60871596

HScode：

2933540000

Characteristics

PSA：

75.3

XLogP3：

2.2

Density：

1.1376 (rough estimate)

Melting Point：

135.0 °C

Boiling Point：

367.89°C (rough estimate)

Refractive Index：

1.4620 (estimate)

Toxicity：

LDLo ipr-rat: 210 mg/kg JPHAA326,317,37

Computed Properties

Molecular Weight:226.27
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:226.13174244
Monoisotopic Mass:226.13174244
Topological Polar Surface Area:75.3
Heavy Atom Count:16
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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

SDS

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