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69465-84-5

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Basic Information
CAS No.: 69465-84-5
Name: Bis([3-triethoxysilyl)propyl]urea
Article Data: 7
Molecular Structure:
Molecular Structure of 69465-84-5 (Bis([3-triethoxysilyl)propyl]urea)
Formula: C19H44N2O7Si2
Molecular Weight: 468.739
Synonyms: BIS[3-(TRIETHOXYSILYL)PROPYL]UREA: 60% IN ETHANOL;60% IN ETHANOL;N,N-BIS[3-(TRIETHOXYSILYL)PROPYL]UREA, 60% in ethanol;N,N-BIS[3-(TRIETHOXYSILYL)PROPYL]UREA
Density: 1.004 g/cm3
Boiling Point: 494.2 °C at 760 mmHg
Flash Point: 252.7 °C
PSA: 96.51000
LogP: 3.94440
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Specification

The Bis([3-triethoxysilyl)propyl]urea, its CAS registry number is 69465-84-5. This chemical's molecular formula is C19H44N2O7Si2 and molecular weight is 468.7329. What's more, its systematic name is 1,3-bis[3-(triethoxysilyl)propyl]urea.

Physical properties about Bis([3-triethoxysilyl)propyl]urea are: (1)ACD/LogP: 3.06; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 125.06; (6)ACD/BCF (pH 7.4): 125.06; (7)ACD/KOC (pH 5.5): 1103.36; (8)ACD/KOC (pH 7.4): 1103.35; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 78.93 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 125.19 cm3; (15)Molar Volume: 466.5 cm3; (16)Polarizability: 49.63×10-24cm3; (17)Surface Tension: 29.2 dyne/cm ; (18)Density: 1.004 g/cm3; (19)Flash Point: 252.7 °C; (20)Enthalpy of Vaporization: 76.14 kJ/mol; (21)Boiling Point: 494.2 °C at 760 mmHg; (22)Vapour Pressure: 6.61E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCC[Si](OCC)(OCC)OCC)NCCC[Si](OCC)(OCC)OCC
(2) InChI: InChI=1/C19H44N2O7Si2/c1-7-23-29(24-8-2,25-9-3)17-13-15-20-19(22)21-16-14-18-30(26-10-4,27-11-5)28-12-6/h7-18H2,1-6H3,(H2,20,21,22)
(3) InChIKey: HOBIHBQJHORMMP-UHFFFAOYAZ