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Name |
Pyridine,3-[2-(4-pyridinyl)ethyl]- |
EINECS | N/A |
CAS No. | 52864-49-0 | Density | 1.087 g/cm3 |
PSA | 25.78000 | LogP | 2.26180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12N2 | Boiling Point | 308.8 °C at 760 mmHg |
Molecular Weight | 184.24 | Flash Point | 116.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 66168;3-(2-Pyridin-4-ylethyl)pyridine; |
The Pyridine, 3-[2-(4-pyridinyl)ethyl]-, with the CAS registry number 52864-49-0, is also known as NSC 66168. This chemical's molecular formula is C12H12N2 and molecular weight is 184.24. What's more, its IUPAC name is 3-(2-Pyridin-4-ylethyl)pyridine.
Physical properties about Pyridine, 3-[2-(4-pyridinyl)ethyl]- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 56.47 cm3; (9)Molar Volume: 169.3 cm3; (10)Polarizability: 22.38×10-24 cm3; (11)Surface Tension: 47.3 dyne/cm; (12)Density: 1.087 g/cm3; (13)Flash Point: 116.6 °C; (14)Enthalpy of Vaporization: 52.76 kJ/mol; (15)Boiling Point: 308.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00121 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(cc1)CCc2cccnc2
(2) InChI: InChI=1/C12H12N2/c1-2-12(10-14-7-1)4-3-11-5-8-13-9-6-11/h1-2,5-10H,3-4H2
(3) InChIKey: KGNKZFFMNQVXRU-UHFFFAOYAL