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CAS No.: | 107351-80-4 |
---|---|
Name: | 2-Amino-3-bromo-5-phenylpyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H9BrN2 |
Molecular Weight: | 249.11 |
Synonyms: | 2-Amino-3-bromo-5-phenylpyridine; |
Density: | 1.496 g/cm3 |
Melting Point: | 113-116 °C |
Boiling Point: | 332.7 °C at 760 mmHg |
Flash Point: | 155 °C |
PSA: | 38.91000 |
LogP: | 3.67450 |
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The CAS registry number of 2-Pyridinamine,3-bromo-5-phenyl- is 107351-80-4. It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical is also named as 2-Amino-3-bromo-5-phenylpyridine. In addition, its molecular formula is C11H9BrN2 and molecular weight is 249.1066. Its systematic name is called 3-bromo-5-phenylpyridin-2-amine.
Physical properties about 2-Pyridinamine,3-bromo-5-phenyl- are:(1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 689.02; (6)ACD/BCF (pH 7.4): 696.72; (7)ACD/KOC (pH 5.5): 3730.97; (8)ACD/KOC (pH 7.4): 3772.64; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 60.86 cm3; (14)Molar Volume: 166.4 cm3; (15)Surface Tension: 54 dyne/cm; (16)Density: 1.496 g/cm3; (17)Flash Point: 155 °C; (18)Enthalpy of Vaporization: 57.55 kJ/mol; (19)Boiling Point: 332.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000143 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(c1ccccc1)cnc2N
(2)InChI: InChI=1/C11H9BrN2/c12-10-6-9(7-14-11(10)13)8-4-2-1-3-5-8/h1-7H,(H2,13,14)
(3)InChIKey: SAZYIWJKSVYWFJ-UHFFFAOYAC