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| CAS No.: | 850892-12-5 |
|---|---|
| Name: | 3-AMino-5-broMo-4-Methylpyridine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H7BrN2 |
| Molecular Weight: | 187.039 |
| Synonyms: | 5-Bromo-4-methylpyridin-3-amine;5-Bromo-4-methyl-pyridin-3-ylamine; |
| Density: | 1.593 g/cm3 |
| Boiling Point: | 302 °C at 760 mmHg |
| Flash Point: | 136.5 °C |
| PSA: | 38.91000 |
| LogP: | 2.31590 |
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- Total:21 Page 1 of 1 1
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Specification
The 3-Pyridinamine, 5-bromo-4-methyl-, with the CAS registry number 850892-12-5, is also known as 5-Bromo-4-methyl-pyridin-3-ylamine. This chemical's molecular formula is C6H7BrN2 and molecular weight is 187.04. What's more, its systematic name is 5-bromo-4-methylpyridin-3-amine.
Physical properties of 3-Pyridinamine, 5-bromo-4-methyl- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 13.94; (6)ACD/BCF (pH 7.4): 15.2; (7)ACD/KOC (pH 5.5): 223.82; (8)ACD/KOC (pH 7.4): 244.04; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 41.09 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 16.29×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.593 g/cm3; (19)Flash Point: 136.5 °C; (20)Enthalpy of Vaporization: 54.22 kJ/mol; (21)Boiling Point: 302 °C at 760 mmHg; (22)Vapour Pressure: 0.00102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(N)cnc1)C
(2)Std. InChI: InChI=1S/C6H7BrN2/c1-4-5(7)2-9-3-6(4)8/h2-3H,8H2,1H3
(3)Std. InChIKey: VZPJBIMRSJQEMB-UHFFFAOYSA-N