Carbamic acid,N-[5-(bromomethyl)-2-pyrazinyl]-, 1,1-dimethylethyl ester (369638-69-7)

The (5-Bromomethylpyrazin-2-yl)carbamic acid tert-butyl ester, with the CAS registry number 369638-69-7, has the systematic name and IUPAC name of tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate. And the molecular formula of the chemical is C₁₀H₁₄BrN₃O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.751; (4)ACD/LogD (pH 7.4): 0.751; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 2.19; (7)ACD/KOC (pH 5.5): 60.996; (8)ACD/KOC (pH 7.4): 60.995; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.11 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 64.965 cm³; (15)Molar Volume: 194.387 cm³; (16)Polarizability: 25.754×10^-24cm³; (17)Surface Tension: 52.15 dyne/cm; (18)Density: 1.482 g/cm³; (19)Flash Point: 149.997 °C; (20)Enthalpy of Vaporization: 56.643 kJ/mol; (21)Boiling Point: 324.409 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1cnc(cn1)CBr
(2)InChI: InChI=1/C10H14BrN3O2/c1-10(2,3)16-9(15)14-8-6-12-7(4-11)5-13-8/h5-6H,4H2,1-3H3,(H,13,14,15)
(3)InChIKey: FPWNVMNGKNLYSC-UHFFFAOYAO