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CAS No.: | 68959-21-7 |
---|---|
Name: | (S)-N-1-PHENYLETHYL-N'-TRIETHOXYSILYLPROPYLUREA |
Molecular Structure: | |
Formula: | C18H32N2O4Si |
Molecular Weight: | 368.54 |
Synonyms: | 1-(1-Phenylethyl)-3-(3-(triethoxysilyl)propyl)urea; |
EINECS: | 273-405-5 |
Density: | 1.03 g/cm3 |
Boiling Point: | 471 °C at 760 mmHg |
Flash Point: | 238.6 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 68.82000 |
LogP: | 4.26710 |
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The Urea,N-(1-phenylethyl)-N'-[3-(triethoxysilyl)propyl]- has the CAS registry number 68959-21-7. Its EINECS number is 273-405-5. This chemical's molecular formula is C18H32N2O4Si and formula weight is 368.54. What's more, its systematic name is 1-(1-Phenylethyl)-3-(3-(triethoxysilyl)propyl)urea.
Physical properties of Urea,N-(1-phenylethyl)-N'-[3-(triethoxysilyl)propyl]- are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/BCF (pH 5.5): 145.18; (5)ACD/BCF (pH 7.4): 145.17; (6)ACD/KOC (pH 5.5): 1227.7; (7)ACD/KOC (pH 7.4): 1227.69; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 51.24 Å2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 103.3 cm3; (14)Molar Volume: 357.6 cm3; (15)Surface Tension: 33.3 dyne/cm; (16)Density: 1.03 g/cm3; (17)Flash Point: 238.6 °C; (18)Enthalpy of Vaporization: 73.36 kJ/mol; (19)Boiling Point: 471 °C at 760 mmHg; (20)Vapour Pressure: 4.85E-09 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(c1ccccc1)C)NCCC[Si](OCC)(OCC)OCC
(2)InChI: InChI=1S/C18H32N2O4Si/c1-5-22-25(23-6-2,24-7-3)15-11-14-19-18(21)20-16(4)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3,(H2,19,20,21)
(3)InChIKey: HTHSRWGCXUDZTR-UHFFFAOYSA-N