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CAS No.: | 284462-78-8 |
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Name: | 4-(3-Aminophenoxy)-N-methylpicolinamide |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C13H13N3O2 |
Molecular Weight: | 243.265 |
Synonyms: | 2-Pyridinecarboxamide, 4-(3-aminophenoxy)-N-methyl-; |
Density: | 1.241 g/cm3 |
Boiling Point: | 472.2 °C at 760 mmHg |
Flash Point: | 239.4 °C |
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The 4-(3-Aminophenoxy)-N-methylpicolinamide, with the CAS registry number 284462-78-8, is also known as 2-Pyridinecarboxamide, 4-(3-aminophenoxy)-N-methyl-. This chemical's molecular formula is C13H13N3O2 and molecular weight is 243.26. What's more, its systematic name is called 4-(3-Aminophenoxy)-N-methylpyridine-2-carboxamide.
Physical properties about 4-(3-Aminophenoxy)-N-methylpicolinamide are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.22; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 39.95; (8)ACD/KOC (pH 7.4): 40.53; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.24 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 68.64 cm3; (15)Molar Volume: 195.8 cm3; (16)Surface Tension: 54.2 dyne/cm; (17)Density: 1.241 g/cm3; (18)Flash Point: 239.4 °C; (19)Enthalpy of Vaporization: 73.51 kJ/mol; (20)Boiling Point: 472.2 °C at 760 mmHg; (21)Vapour Pressure: 4.36E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC)c2cc(Oc1cccc(N)c1)ccn2
(2) InChI: InChI=1/C13H13N3O2/c1-15-13(17)12-8-11(5-6-16-12)18-10-4-2-3-9(14)7-10/h2-8H,14H2,1H3,(H,15,17)
(3) InChIKey: DRPIVJDJDIQRFK-UHFFFAOYAX