The Benzenemethanamine,N-methyl-4-[(tetrahydro-2H-pyran-4-yl)oxy]-, with CAS registry number 898289-40-2, has the systematic name of N-methyl-1-(4-tetrahydropyran-4-yloxyphenyl)methanamine. This chemical may destroy living tissue on contact. And the chemical formula of this chemical is C13H19NO2.
Physical properties of Benzenemethanamine,N-methyl-4-[(tetrahydro-2H-pyran-4-yl)oxy]-: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 30.49 Å2; (7)Index of Refraction: 1.526; (8)Molar Refractivity: 64.1 cm3; (9)Molar Volume: 208.6 cm3; (10)Polarizability: 25.41×10-24cm3; (11)Surface Tension: 38.7 dyne/cm; (12)Density: 1.06 g/cm3; (13)Flash Point: 138.5 °C; (14)Enthalpy of Vaporization: 58.07 kJ/mol; (15)Boiling Point: 337.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1ccc(cc1)OC2CCOCC2
(2)InChI: InChI=1/C13H19NO2/c1-14-10-11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h2-5,13-14H,6-10H2,1H3
(3)InChIKey: BIMJTFGNKMMZOM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H19NO2/c1-14-10-11-2-4-12(5-3-11)16-13-6-8-15-9-7-13/h2-5,13-14H,6-10H2,1H3
(5)Std. InChIKey: BIMJTFGNKMMZOM-UHFFFAOYSA-N
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