2-(Chloromethyl)-4-Methylquinazoline / Linagliptin Intermediate 109113-72-6

2-(Chloromethyl)-4-methylquinazoline is one of key intermediates of Linagliptin.

Physical properties of 2-(Chloromethyl)-4-methylquinazoline are:

(1)ACD/LogP: 2.009;

(2)# of Rule of 5 Violations: 0;

(3)ACD/LogD (pH 5.5): 2.01;

(4)ACD/LogD (pH 7.4): 2.01;

(5)ACD/BCF (pH 5.5): 19.78;

(6)ACD/BCF (pH 7.4): 19.79;

(7)ACD/KOC (pH 5.5): 294.75;

(8)ACD/KOC (pH 7.4): 294.87;

(9)#H bond acceptors: 2;

(10)#H bond donors: 0;

(11)#Freely Rotating Bonds: 1;

(12)Polar Surface Area: 25.78 Å2;

(13)Index of Refraction: 1.631;

(14)Molar Refractivity: 54.868 cm3;

(15)Molar Volume: 153.967 cm3;

(16)Polarizability: 21.752×10-24cm3;

(17)Surface Tension: 51.42 dyne/cm;

(18)Density: 1.251 g/cm3;

(19)Flash Point: 122.14 °C;

(20)Enthalpy of Vaporization: 45.761 kJ/mol;

(21)Boiling Point: 240.039 °C at 760 mmHg;

(22)Vapour Pressure: 0.06 mmHg at 25°C.

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