Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Piperidin-4-yloxy)-benzonitrile |
EINECS | N/A |
CAS No. | 224178-67-0 | Density | 1.13 g/cm3 |
PSA | 45.05000 | LogP | 2.01788 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14N2O | Boiling Point | 366.8 °C at 760mmHg |
Molecular Weight | 202.256 | Flash Point | 175.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(4-Cyanophenoxy)piperidine;4-(Piperidin-4-yloxy)benzonitrile; |
Article Data | 6 |
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