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353235-63-9

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Basic Information
CAS No.: 353235-63-9
Name: 4-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)aniline
Article Data: 2
Molecular Structure:
Molecular Structure of 353235-63-9 (4-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)aniline)
Formula: C19H18N2O2
Molecular Weight: 306.364
Synonyms: 4-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)aniline;N-[4-(2-Methoxyphenoxy)phenyl]-3-pyridinemethanamine;3-PyridineMethanaMine, N-[4-(2-Methoxyphenoxy)phenyl]-
Density: 1.190 g/cm3
Boiling Point: 467.119 °C at 760 mmHg
Flash Point: 236.306 °C
PSA: 43.38000
LogP: 4.56760
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Specification

The N-[4-(2-Methoxyphenoxy)phenyl]-3-pyridinemethanamine, with cas registry number 353235-63-9, has the systematic name of 4-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)aniline.

Physical properties of N-[4-(2-Methoxyphenoxy)phenyl]-3-pyridinemethanamine:  (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 360; (8)ACD/KOC (pH 7.4): 464; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.38 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 91.563 cm3; (15)Molar Volume: 257.404 cm3; (16)Polarizability: 36.298×10-24cm3; (17)Surface Tension: 48.777 dyne/cm; (18)Enthalpy of Vaporization: 72.904 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: COc3ccccc3Oc2ccc(NCc1cccnc1)cc2
(2)InChI: InChI=1/C19H18N2O2/c1-22-18-6-2-3-7-19(18)23-17-10-8-16(9-11-17)21-14-15-5-4-12-20-13-15/h2-13,21H,14H2,1H3
(3)InChIKey: XGIMENIGAKFWHM-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C19H18N2O2/c1-22-18-6-2-3-7-19(18)23-17-10-8-16(9-11-17)21-14-15-5-4-12-20-13-15/h2-13,21H,14H2,1H3
(5)Std. InChIKey: XGIMENIGAKFWHM-UHFFFAOYSA-N