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107979-42-0

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Basic Information
CAS No.: 107979-42-0
Name: 1-(2,2-Diethoxyethyl)-3-allylurea
Molecular Structure:
Molecular Structure of 107979-42-0 (1-(2,2-Diethoxyethyl)-3-allylurea)
Formula: C10H20N2O3
Molecular Weight: 216.2774
Synonyms: N-(2,2-Diethoxyethyl)-N'-2-propen-1-yl-Urea;
Density: 0.998 g/cm3
Boiling Point: 360.5 °C at 760 mmHg
Flash Point: 171.8 °C
PSA: 59.59000
LogP: 1.65250
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Specification

The Urea,N-(2,2-diethoxyethyl)-N'-2-propen-1-yl-, with the CAS registry number of 107979-42-0, is also known as N-(2,2-Diethoxyethyl)-N'-2-propen-1-yl-Urea. Its molecular formula is C10H20N2O3 and molecular weight is 216.2774. What's more, its systematic name is 1-Allyl-3-(2,2-diethoxyethyl)urea.

Physical properties about the Urea,N-(2,2-diethoxyethyl)-N'-2-propen-1-yl- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 59.59 Å2; (9)Index of Refraction: 1.455; (10)Molar Refractivity: 58.77 cm3; (11)Molar Volume: 216.5 cm3; (12)Surface Tension: 32.4 dyne/cm; (13)Density: 0.998 g/cm3; (14)Flash Point: 171.8 °C; (15)Enthalpy of Vaporization: 60.62 kJ/mol; (16)Boiling Point: 360.5 °C at 760 mmHg; (17)Vapour Pressure: 2.21E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(CNC(=O)NCC=C)OCC
(2) InChI: InChI=1/C10H20N2O3/c1-4-7-11-10(13)12-8-9(14-5-2)15-6-3/h4,9H,1,5-8H2,2-3H3,(H2,11,12,13)
(3) InChIKey: IGIVZSSFWNWHCU-UHFFFAOYAW