Pyridine,4-[2-(1-piperidinyl)ethyl]- supplier

Name
4-(2-PIPERIDINOETHYL) PYRIDINE
EINECS 236-607-4
CAS No. 13450-67-4
Article Data10
CAS DataBase
Density 1.006 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂
Boiling Point 296.2 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 132.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperidine,1-[2-(4-pyridyl)ethyl]- (6CI,8CI);4-[2-(1-Piperidinyl)ethyl]pyridine;NSC163398;
PSA 16.13000
LogP 2.04790

Pyridine,4-[2-(1-piperidinyl)ethyl]- Specification

The Pyridine, 4-[2-(1-piperidinyl)ethyl]-, with the CAS registry number 13450-67-4, is also known as 1-(2-(4-Pyridinyl)ethyl)piperidine. Its EINECS registry number is 236-607-4. This chemical's molecular formula is C₁₂H₁₈N₂ and molecular weight is 190.28. What's more, its IUPAC name is 4-(2-Piperidin-1-ylethyl)pyridine.

Physical properties about Pyridine, 4-[2-(1-piperidinyl)ethyl]- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -0.01; (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): 3.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 58.53 cm³; (15)Molar Volume: 189 cm³; (16)Polarizability: 23.2×10^-24 cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.006 g/cm³; (19)Flash Point: 132.9 °C; (20)Enthalpy of Vaporization: 53.6 kJ/mol; (21)Boiling Point: 296.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00146 mmHg at 25 °C.

Preparation of Pyridine, 4-[2-(1-piperidinyl)ethyl]-: this chemical is prepared by reaction of 4-Vinyl-pyridine with Piperidine by heating. This reaction needs reagent PPh₃, catalyst [Rh(cod)₂]BF₄ and solvent Tetrahydrofuran. The reaction time is 20 hours. The yield is about 36 %.

The Pyridine, 4-[2-(1-piperidinyl)ethyl]- can be obtained by 4-Vinyl-pyridine and Piperidine.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(cc1)CCN2CCCCC2
(2) InChI: InChI=1/C12H18N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h4-5,7-8H,1-3,6,9-11H2
(3) InChIKey: ICBUOQBBEUSCAJ-UHFFFAOYAN

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	35mg/kg (35mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12249,

Product Name

4-(2-PIPERIDINOETHYL) PYRIDINE

Pyridine,4-[2-(1-piperidinyl)ethyl]- Specification

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