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35633-50-2

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Basic Information
CAS No.: 35633-50-2
Name: 3-(2-METHOXYETHOXY)-PROPANENITRILE
Molecular Structure:
Molecular Structure of 35633-50-2 (3-(2-METHOXYETHOXY)-PROPANENITRILE)
Formula: C6H11NO2
Molecular Weight: 129.159
Synonyms: Propionitrile,3-(2-methoxyethoxy)- (7CI);3-(2-Methoxyethoxy)propionitrile;Methylcellosolvecyanoethyl ether;
Density: 0.966 g/cm3
Boiling Point: 225.7 °C at 760 mmHg
Flash Point: 94.6 °C
PSA: 42.25000
LogP: 0.56308
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Specification

The CAS registry number of Propanenitrile,3-(2-methoxyethoxy)- is 35633-50-2. This chemical is also named as Methoxyethoxypropionitrile. In addition, its molecular formula is C6H11NO2 and molecular weight is 129.157. Its systematic name and IUPAC name are the same which is called 3-(2-methoxyethoxy)propanenitrile.

Physical properties about Propanenitrile,3-(2-methoxyethoxy)- are: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.8; (8)ACD/KOC (pH 7.4): 8.8; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.411; (13)Molar Refractivity: 33.25 cm3; (14)Molar Volume: 133.6 cm3; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 0.966 g/cm3; (17)Flash Point: 94.6 °C; (18)Enthalpy of Vaporization: 46.22 kJ/mol; (19)Boiling Point: 225.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0853 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCOCCOC
(2)InChI: InChI=1/C6H11NO2/c1-8-5-6-9-4-2-3-7/h2,4-6H2,1H3
(3)InChIKey: ZAGOKQGYDCMNPT-UHFFFAOYAO