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5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione

5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione structure

CAS No:
36226-64-9
Formula:
C13H14N2O3
Chemical Name:
5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
Synonyms:
5-Ethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione;Benzylbarbital;Ethylbenzylbarbituric acid

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5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione Basic Attributes

Molecular Weight：

246.266

Exact Mass：

246.1

DSSTox ID：

DTXSID50189778

Characteristics

PSA：

75.3

XLogP3：

1.8

Density：

1.1855 (rough estimate)

Boiling Point：

389.26°C (rough estimate)

Toxicity：

Peritoneal mouse LD50: 73 mg/kg; oral-cat LDL0: 400 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Storage features：

Ventilated, low temperature and dry; stored separately from food materials in warehouse

Toxicity

Toxicity class：

highly toxic

Computed Properties

Molecular Weight:246.26
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:246.10044231
Monoisotopic Mass:246.10044231
Topological Polar Surface Area:75.3
Heavy Atom Count:18
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione

SDS

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