The (3-Propoxybenzyl)amine, with CAS registry number 37806-33-0, has the systematic name of 1-(3-propoxyphenyl)methanamine. Besides this, it is also called benzenemethanamine, 3-propoxy-. And the chemical formula of this chemical is C10H15NO.
Physical properties of (3-Propoxybenzyl)amine: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): 0.14; (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): 3.79; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 50.64 cm3; (15)Molar Volume: 166.4 cm3; (16)Polarizability: 20.07×10-24cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 0.992 g/cm3; (19)Flash Point: 113.5 °C; (20)Enthalpy of Vaporization: 50.36 kJ/mol; (21)Boiling Point: 265.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00906 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1)CN)CCC
(2)InChI: InChI=1/C10H15NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3
(3)InChIKey: FZZHOOAJILNNEV-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H15NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3
(5)Std. InChIKey: FZZHOOAJILNNEV-UHFFFAOYSA-N
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