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105972-24-5

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Basic Information
CAS No.: 105972-24-5
Name: 4-(2-aminophenethyl)pyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 105972-24-5 (4-(2-aminophenethyl)pyridine)
Formula: C13H14N2
Molecular Weight: 198.268
Synonyms: Pyridine,4-(o-aminophenethyl)- (6CI);2-[2-(Pyridin-4-yl)ethyl]aniline;2-(2-(4-Pyridyl)ethyl)phenylamine;2-(2-Pyridin-4-ylethyl)aniline;4-(2-Aminophenethyl)pyridine;
Density: 1.11 g/cm3
Melting Point: 76℃
Boiling Point: 347.3 °C at 760 mmHg
Flash Point: 190.7 °C
PSA: 38.91000
LogP: 3.03020
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Specification

The Benzenamine,2-[2-(4-pyridinyl)ethyl]-, with the CAS registry number 105972-24-5, is also known as 4-(2-Aminophenethyl)pyridine. This chemical's molecular formula is C13H14N2 and molecular weight is 198.26. What's more, its IUPAC name is 2-(2-pyridin-4-ylethyl)aniline. 

Physical properties of Benzenamine,2-[2-(4-pyridinyl)ethyl]- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 4.3; (6)ACD/BCF (pH 7.4): 16.49; (7)ACD/KOC (pH 5.5): 66.84; (8)ACD/KOC (pH 7.4): 256.13; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 62.61 cm3; (15)Molar Volume: 178.4 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.11 g/cm3; (18)Flash Point: 190.7 °C; (19)Enthalpy of Vaporization: 59.15 kJ/mol; (20)Boiling Point: 347.3 °C at 760 mmHg; (21)Vapour Pressure: 5.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)CCC2=CC=NC=C2)N
(2)InChI: InChI=1S/C13H14N2/c14-13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,5-6,14H2
(3)InChIKey: ZGFRLWMJMWEDON-UHFFFAOYSA-N