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5391-40-2

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Basic Information
CAS No.: 5391-40-2
Name: 1,3-DIACETYL-2-IMIDAZOLIDINONE
Molecular Structure:
Molecular Structure of 5391-40-2 (1,3-DIACETYL-2-IMIDAZOLIDINONE)
Formula: C7H10N2O3
Molecular Weight: 170.168
Synonyms: 1,3-Diacetyl-2-oxoimidazolidine;1,3-Diacetyl-2-imidazolidinone;
Density: 1.31 g/cm3
Melting Point: 126-128 °C
Boiling Point: 261.3 °C at 760 mmHg
Flash Point: 112.1 °C
PSA: 57.69000
LogP: -0.30720
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Specification

The 2-Imidazolidinone,1,3-diacetyl-, with the CAS registry number 5391-40-2, is also known as 1,3-Diacetyl-2-oxoimidazolidine and 1,3-Diacetyl-2-imidazolidinone. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C7H10N2O3 and molecular weight is 170.1659. What's more, its systematic name is called 1,3-Diacetylimidazolidin-2-one.

Physical properties about 2-Imidazolidinone,1,3-diacetyl- are: (1)ACD/LogP: -2.57; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 57.69 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 39.5 cm3; (15)Molar Volume: 129.8 cm3; (16)Surface Tension: 52.1 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 112.1 °C; (19)Enthalpy of Vaporization: 49.9 kJ/mol; (20)Boiling Point: 261.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0117 mmHg at 25 °C; (22)Melting Point: 126-128 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N1C(=O)N(C(=O)C)CC1)C
(2) InChI: InChI=1/C7H10N2O3/c1-5(10)8-3-4-9(6(2)11)7(8)12/h3-4H2,1-2H3
(3) InChIKey: PAFPWEIHSLHEJT-UHFFFAOYAH