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1049730-49-5

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Basic Information
CAS No.: 1049730-49-5
Name: 1-(2,2-Diethoxyethyl)-3-ethylurea
Molecular Structure:
Molecular Structure of 1049730-49-5 (1-(2,2-Diethoxyethyl)-3-ethylurea)
Formula: C9H20N2O3
Molecular Weight: 204.2667
Synonyms: N-(2,2-Diethoxyethyl)-N'-ethyl-Urea;
Density: 0.996 g/cm3
Boiling Point: 345.9 °C at 760 mmHg
Flash Point: 163 °C
PSA: 59.59000
LogP: 1.48640
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Specification

The Urea,N-(2,2-diethoxyethyl)-N'-ethyl-, with the CAS registry number of 1049730-49-5, is also known as N-(2,2-Diethoxyethyl)-N'-ethyl-Urea. Its molecular formula is C9H20N2O3 and molecular weight is 204.2667. What's more, its systematic name is 1-(2,2-Diethoxyethyl)-3-ethyl-urea.

Physical properties about the Urea,N-(2,2-diethoxyethyl)-N'-ethyl- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 59.59 Å2; (9)Index of Refraction: 1.443; (10)Molar Refractivity: 54.41 cm3; (11)Molar Volume: 204.9 cm3; (12)Surface Tension: 32.1 dyne/cm; (13)Density: 0.996 g/cm3; (14)Flash Point: 163 °C; (15)Enthalpy of Vaporization: 59.01 kJ/mol; (16)Boiling Point: 345.9 °C at 760 mmHg; (17)Vapour Pressure: 5.95E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCNC(=O)NCC(OCC)OCC
(2) InChI: InChI=1/C9H20N2O3/c1-4-10-9(12)11-7-8(13-5-2)14-6-3/h8H,4-7H2,1-3H3,(H2,10,11,12)
(3) InChIKey: SICPFQHTZZQPCD-UHFFFAOYAB