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857284-09-4

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Basic Information
CAS No.: 857284-09-4
Name: 3-(2-MORPHOLIN-4-YLETHOXY)BENZONITRILE
Molecular Structure:
Molecular Structure of 857284-09-4 (3-(2-MORPHOLIN-4-YLETHOXY)BENZONITRILE)
Formula: C13H16N2O2
Molecular Weight: 232.28
Synonyms: 3-(2-Morpholin-4-ylethoxy)benzonitrile 97%;
Density: 1.16 g/cm3
Boiling Point: 383.6 °C at 760 mmHg
Flash Point: 185.8 °C
PSA: 45.49000
LogP: 1.20718
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Specification

The Benzonitrile,3-[2-(4-morpholinyl)ethoxy]-, with the CAS registry number 857284-09-4, is also known as 3-(2-Morpholin-4-ylethoxy)benzonitrile 97%. This chemical's molecular formula is C13H16N2O2 and molecular weight is 232.28. What's more, its systematic name is 3-(2-Morpholin-4-ylethoxy)benzonitrile.

Physical properties about Benzonitrile,3-[2-(4-morpholinyl)ethoxy]- are: (1) ACD/LogP: 0.80; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 45.49 Å2; (7) Index of Refraction: 1.561; (8) Molar Refractivity: 64.42 cm3; (9)Molar Volume: 198.6 cm3; (10) Surface Tension: 50.3 dyne/cm; (11) Density: 1.16 g/cm3; (12) Flash Point: 185.8 °C; (13) Enthalpy of Vaporization: 63.22 kJ/mol; (14) Boiling Point: 383.6 °C at 760 mmHg; (15) Vapour Pressure: 4.34E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Benzonitrile,3-[2-(4-morpholinyl)ethoxy]-
(2) InChI: Benzonitrile,3-[2-(4-morpholinyl)ethoxy]-
(3) InChIKey: ODIXJITZUFPSSQ-UHFFFAOYAU