The 3-Pyridinemethanamine,5-bromo-N-methyl-, with the CAS registry number 73335-64-5, has the systematic name and IUPAC name of 1-(5-bromopyridin-3-yl)-N-methylmethanamine. It is a kind of corrosive chemical, and the molecular formula of the chemical is C7H9BrN2.
The characteristics of 3-Pyridinemethanamine,5-bromo-N-methyl- are as followings: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 17.05; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 24.92 Å2; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 45.17 cm3; (14)Molar Volume: 140.4 cm3; (15)Polarizability: 17.91×10-24cm3; (16)Surface Tension: 41.4 dyne/cm; (17)Density: 1.431 g/cm3; (18)Flash Point: 106.2 °C; (19)Enthalpy of Vaporization: 48.93 kJ/mol; (20)Boiling Point: 251.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0199 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(CNC)cnc1
(2)InChI: InChI=1/C7H9BrN2/c1-9-3-6-2-7(8)5-10-4-6/h2,4-5,9H,3H2,1H3
(3)InChIKey: UHDHQYPCHVXIKK-UHFFFAOYAY
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