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146440-15-5

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Basic Information
CAS No.: 146440-15-5
Name: 4-[3-(Dimethylamino)propoxy]benzonitrile
Molecular Structure:
Molecular Structure of 146440-15-5 (4-[3-(Dimethylamino)propoxy]benzonitrile)
Formula: C12H16N2O
Molecular Weight: 204.26824
Synonyms: 4-[3-(Dimethylamino)propoxy]benzonitrile;
Density: 1.04 g/cm3
Boiling Point: 331.656 °C at 760 mmHg
Flash Point: 154.38 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 36.26000
LogP: 1.88878
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Specification

The Benzonitrile,4-[3-(dimethylamino)propoxy]-, with the CAS registry number 146440-15-5, is also known as 4-[3-(Dimethylamino)propoxy]benzonitrile 97%. This chemical's molecular formula is C12H16N2O and molecular weight is 204.26824. Its systematic name is called 4-[3-(dimethylamino)propoxy]benzonitrile. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact and may cause burns.


Physical properties of Benzonitrile,4-[3-(dimethylamino)propoxy]-: (1)ACD/LogP: 1.58; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 5; (4)Index of Refraction: 1.529; (5)Molar Refractivity: 60.09 cm3; (6)Molar Volume: 194.919 cm3; (7)Surface Tension: 42.698 dyne/cm; (8)Density: 1.048 g/cm3; (9)Flash Point: 154.38 °C; (10)Enthalpy of Vaporization: 57.435 kJ/mol; (11)Boiling Point: 331.656 °C at 760 mmHg; (12)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(OCCCN(C)C)cc1
(2)InChI: InChI=1/C12H16N2O/c1-14(2)8-3-9-15-12-6-4-11(10-13)5-7-12/h4-7H,3,8-9H2,1-2H3
(3)InChIKey: XYCJVOUBTBJYTL-UHFFFAOYAE