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52210-90-9

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Basic Information
CAS No.: 52210-90-9
Name: 1-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE
Article Data: 14
Molecular Structure:
Molecular Structure of 52210-90-9 (1-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE)
Formula: C8H9N3O
Molecular Weight: 163.179
Synonyms: 1-(4-Pyridyl)-2-imidazolidinone;1-(Pyridin-4-yl)imidazolidin-2-one;1-Pyridin-4-yl-imidazolidin-2-one >98%;
Density: 1.257g/cm3
Melting Point: 210-212 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 45.23000
LogP: 1.00500
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Specification

The CAS register number of 2-Imidazolidinone,1-(4-pyridinyl)- is 52210-90-9. It also can be called as 1-(4-Pyridyl)-2-imidazolidinone and the systematic name about this chemical is 1-pyridin-4-ylimidazolidin-2-one. The molecular formula about this chemical is C8H9N3O and the molecular weight is 163.18.

Physical properties about 2-Imidazolidinone,1-(4-pyridinyl)- are: (1)ACD/LogP: -1.00; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 6.04; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 36.44 Å2; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 43.41 cm3; (12)Molar Volume: 129.7 cm3; (13)Polarizability: 17.21x10-24cm3; (14)Surface Tension: 52.7 dyne/cm; (15)Density: 1.257 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NCCN2c1ccncc1
(2)InChI: InChI=1/C8H9N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
(3)InChIKey: HKCFTGZESMCKJA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H9N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
(5)Std. InChIKey: HKCFTGZESMCKJA-UHFFFAOYSA-N