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436086-98-5

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Basic Information
CAS No.: 436086-98-5
Name: FURAN-2-YLMETHYL-PYRIDIN-4-YLMETHYL-AMINE
Molecular Structure:
Molecular Structure of 436086-98-5 (FURAN-2-YLMETHYL-PYRIDIN-4-YLMETHYL-AMINE)
Formula: C11H12N2O
Molecular Weight: 188.229
Synonyms: 1-(Furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine;
Density: 167.7 g/cm3
Boiling Point: 305.1 °C at 760 mmHg
Flash Point: 138.3 °C
Hazard Symbols: IrritantXi
PSA: 38.06000
LogP: 2.35530
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Specification

The 4-Pyridinemethanamine, N-(2-furanylmethyl)-, with the CAS registry number of 436086-98-5, is also known as Furan-2-ylmethyl-pyridin-4-ylmethyl-amine. This chemical's molecular formula is C11H12N2O and molecular weight is 188.2332. What's more, its systematic name is called 1-(Furan-2-yl)-N-(pyridin-4-ylmethyl)methanamine. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Pyridinemethanamine, N-(2-furanylmethyl)- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.45; (7)ACD/KOC (pH 5.5): 6.85; (8)ACD/KOC (pH 7.4): 81.28; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.27 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 54.27 cm3; (15)Molar Volume: 167.7 cm3; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.121 g/cm3; (18)Flash Point: 138.3 °C; (19)Enthalpy of Vaporization: 54.55 kJ/mol; (20)Boiling Point: 305.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000841 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(cc1)CNCc2occc2
(2) InChI: InChI=1/C11H12N2O/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2
(3) InChIKey: XOSIAFIXOKLHFK-UHFFFAOYAP