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N-(2-(2-Oxo-1-imidazolindinyl)ethyl)-N-phenylurea

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Name

N-(2-(2-Oxo-1-imidazolindinyl)ethyl)-N-phenylurea

EINECS N/A
CAS No. 54924-46-8 Density 1.266 g/cm3
PSA 73.47000 LogP 1.56390
Solubility N/A Melting Point N/A
Formula C12H16N4O2 Boiling Point 493.665 °C at 760 mmHg
Molecular Weight 248.285 Flash Point 252.36 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54924-46-8 (ethylene diurea) Hazard Symbols N/A
Synonyms

Urea,N-[2-(2-oxo-1-imidazolidinyl)ethyl]-N'- phenyl-;Urea, N-(2-(2-oxo-1-imidazolidinyl)ethyl)-N-phenyl-;1-[2-(2-Oxoimidazolidin-1-yl)ethyl]-3-phenyl-urea;Ethylene diurea;

Article Data 3

N-(2-(2-Oxo-1-imidazolindinyl)ethyl)-N-phenylurea Specification

The N-(2-(2-Oxo-1-imidazolindinyl)ethyl)-N-phenylurea, with the CAS registry number 54924-46-8, is also known as Urea, N-(2-(2-oxo-1-imidazolidinyl)ethyl)-N'-phenyl-. This chemical's molecular formula is C12H16N4O2 and molecular weight is 248.13. What's more, its systematic name is called 1-[2-(2-Oxo-1-imidazolidinyl)ethyl]-3-phenylurea.

Physical properties about N-(2-(2-Oxo-1-imidazolindinyl)ethyl)-N-phenylurea are: (1)ACD/LogP: 0.654; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.85; (6)ACD/BCF (pH 7.4): 1.85; (7)ACD/KOC (pH 5.5): 54.03; (8)ACD/KOC (pH 7.4): 54.02; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 73.47 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 67.645 cm3; (15)Molar Volume: 196.171 cm3; (16)Polarizability: 26.817×10-24cm3; (17)Surface Tension: 55.73 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 252.36 °C; (20)Enthalpy of Vaporization: 76.085 kJ/mol; (21)Boiling Point: 493.665 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NCCN1CCNC(=O)Nc2ccccc2
(2) InChI: InChI=1S/C12H16N4O2/c17-11(15-10-4-2-1-3-5-10)13-6-8-16-9-7-14-12(16)18/h1-5H,6-9H2,(H,14,18)(H2,13,15,17)
(3) InChIKey: GJYIXORDHVAIMH-UHFFFAOYSA-N

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