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27129-49-3

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Basic Information
CAS No.: 27129-49-3
Name: 4-Phenyl-2-imidazolidinone
Article Data: 8
Molecular Structure:
Molecular Structure of 27129-49-3 (4-Phenyl-2-imidazolidinone)
Formula: C9H10N2O
Molecular Weight: 162.191
Synonyms: NSC 280722;4-phenylimidazolidin-2-one;
Density: 1.146 g/cm3
Boiling Point: 417.3 °C at 760 mmHg
Flash Point: 200.4 °C
PSA: 41.13000
LogP: 1.69810
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Specification

The 2-Imidazolidinone,4-phenyl-, with the CAS registry number 27129-49-3, has the systematic name and IUPAC name of 4-phenylimidazolidin-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H10N2O.

The characteristics of 2-Imidazolidinone,4-phenyl- are as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1.38; (7)ACD/KOC (pH 5.5): 43.91; (8)ACD/KOC (pH 7.4): 43.91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 45.1 cm3; (15)Molar Volume: 141.4 cm3; (16)Polarizability: 17.88×10-24cm3; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.146 g/cm3; (19)Flash Point: 200.4 °C; (20)Enthalpy of Vaporization: 67.06 kJ/mol; (21)Boiling Point: 417.3 °C at 760 mmHg; (22)Vapour Pressure: 3.59E-07 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2NCC(c1ccccc1)N2
(2)InChI: InChI=1/C9H10N2O/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11,12)
(3)InChIKey: HFKIYIBJKBDTBZ-UHFFFAOYAQ