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1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE

1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE structure

CAS No:
57712-62-6
Formula:
C12H9N3O2
Chemical Name:
1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Synonyms:
1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile;1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;CHEMBL370674;1-benzyl-2,4-dioxopyrimidine-5-carbonitrile;Oprea1_131842;MLS000695137;SCHEMBL7834032;CTK5A7320;KS-00001RMV;DTXSID20384935

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1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE Basic Attributes

Molecular Weight：

227.22

Exact Mass：

227.06900

DSSTox ID：

DTXSID20384935

HScode：

2933599090

Characteristics

PSA：

73.2

XLogP3：

0.45658

Density：

1.37g/cm3

Melting Point：

234-237°C

Refractive Index：

1.644

Water Solubility：

>34.1 [ug/mL]

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:227.22
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:227.069476538
Monoisotopic Mass:227.069476538
Topological Polar Surface Area:73.2
Heavy Atom Count:17
Complexity:413
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: thiamin mononitrate; 1-pentanol; l methionine; 2 methyl 2 butene; cl2o7; benzaldehyde molar mass

Guide of 1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE

SDS

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