4-(Piperidin-4-yloxy)-benzonitrile supplier

Name
4-(PIPERIDIN-4-YLOXY)BENZONITRILE
EINECS
CAS No. 224178-67-0
Article Data6
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄N₂O
Boiling Point 366.8 °C at 760mmHg
Molecular Weight 202.256
Flash Point 175.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Cyanophenoxy)piperidine;4-(Piperidin-4-yloxy)benzonitrile;
PSA 45.05000
LogP 2.01788

4-(Piperidin-4-yloxy)-benzonitrile Specification

The CAS registry number of Benzonitrile,4-(4-piperidinyloxy)- is 224178-67-0. This chemical's molecular formula is C₁₂H₁₄N₂O and molecular weight is 202.25. What's more, its systematic name is called 4-(Piperidin-4-yloxy)benzonitrile. In addition, this chemical should be stored in a cool, dry and sealing place.

Physical properties about Benzonitrile,4-(4-piperidinyloxy)- are: (1)ACD/LogP: 1.86; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.26 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 57.79 cm³; (15)Molar Volume: 177.9 cm³; (16)Polarizability: 22.91×10^-24 cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 175.6 °C; (20)Enthalpy of Vaporization: 61.32 kJ/mol; (21)Boiling Point: 366.8 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccc(OC1CCNCC1)cc2
(2) InChI: InChI=1/C12H14N2O/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12,14H,5-8H2
(3) InChIKey: DRIREFRFHFBPIN-UHFFFAOYAQ

Product Name

4-(PIPERIDIN-4-YLOXY)BENZONITRILE

4-(Piperidin-4-yloxy)-benzonitrile Specification

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