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3-Bromo-5-methylpyridin-4-amine

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Name

3-Bromo-5-methylpyridin-4-amine

EINECS N/A
CAS No. 97944-43-9 Density 1.593 g/cm3
PSA 38.91000 LogP 2.31590
Solubility N/A Melting Point 115.0 °C
Formula C6H7BrN2 Boiling Point 290.017 °C at 760 mmHg
Molecular Weight 187.039 Flash Point 129.198 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 97944-43-9 (4-AMINO-5-BROMO-3-METHYLPYRIDINE) Hazard Symbols N/A
Synonyms

3-Bromo-5-methyl-4-pyridinamine;4-Amino-5-bromo-3-methylpyridine;

Article Data 3

3-Bromo-5-methylpyridin-4-amine Specification

The 4-Pyridinamine,3-bromo-5-methyl- is an organic compound with the formula C6H7BrN2. The systematic name of this chemical is 3-bromo-5-methylpyridin-4-amine. With the CAS registry number 97944-43-9, 4-Amino-5-bromo-3-methylpyridine. The product's categories are Pyridine; Pyridines.

The other characteristics of 4-Pyridinamine,3-bromo-5-methyl- can be summarized as: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 15.6; (7)ACD/KOC (pH 5.5): 6.72; (8)ACD/KOC (pH 7.4): 208.05; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 41.09 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 16.29×10-24 cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.593 g/cm3; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 52.94 kJ/mol; (21)Boiling Point: 290 °C at 760 mmHg; (22)Vapour Pressure: 0.00212 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cc1cncc(Br)c1N
2. InChI:InChI=1/C6H7BrN2/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3,(H2,8,9)
3. InChIKey:GUAFGBUKLIFASX-UHFFFAOYAI
4. Std. InChI:InChI=1S/C6H7BrN2/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3,(H2,8,9) 
5. Std. InChIKey:GUAFGBUKLIFASX-UHFFFAOYSA-N

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