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31872-78-3

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Basic Information
CAS No.: 31872-78-3
Name: 5-Bromo-4-methoxypyridin-3-amine
Molecular Structure:
Molecular Structure of 31872-78-3 (5-Bromo-4-methoxypyridin-3-amine)
Formula: C6H7BrN2O
Molecular Weight: 203.0366
Synonyms: 3-pyridinamine,5-bromo-4-methoxy-;
Density: 1.622 g/cm3
Boiling Point: 304.1 °C at 760 mmHg
Flash Point: 137.7 °C
PSA: 48.14000
LogP: 2.01610
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Specification

The 5-Bromo-4-methoxypyridin-3-amine with CAS registry number of 31872-78-3 also called 3-pyridinamine, 5-bromo-4-methoxy-. In addition, the formula is C6H7BrN2O and the molecular weight is 203.0366. It should be stored in a cool environment.

Physical properties about this chemical are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.71 ; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.14 Å2; (9)Index of Refraction: 1.602; (10)Molar Refractivity: 42.94 cm3; (11)Molar Volume: 125.1 cm3; (12)Polarizability: 17.02 ×10-24cm3; (13)Surface Tension: 51 dyne/cm; (14)Density: 1.622 g/cm3; (15)Flash Point: 137.7 °C; (16)Enthalpy of Vaporization: 54.45 kJ/mol; (17)Boiling Point: 304.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000892 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cncc1Br)N
(2)InChI: InChI=1/C6H7BrN2O/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,8H2,1H3
(3)InChIKey: PXNPKRYTAZQZHF-UHFFFAOYAN