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CAS No.: | 13958-85-5 |
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Name: | 3-Picoline,4-amino-5-fluoro-(8CI) |
Molecular Structure: | |
Formula: | C6H7FN2 |
Molecular Weight: | 126.133 |
Synonyms: | 3-Picoline,4-amino-5-fluoro- (8CI); |
Density: | 1.196 g/cm3 |
Melting Point: | 90℃ |
Boiling Point: | 234.585 °C at 760 mmHg |
Flash Point: | 95.674 °C |
PSA: | 39.64000 |
LogP: | 1.04140 |
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The 4-Pyridinamine,3-fluoro-5-methyl-, with the CAS registry number 13958-85-5, is also known as 3-Picoline,4-amino-5-fluoro-(8CI). This chemical's molecular formula is C6H7FN2 and molecular weight is 126.06. What's more, its systematic name is called 3-Fluoro-5-methyl-4-pyridinamine.
Physical properties about 4-Pyridinamine,3-fluoro-5-methyl- are: (1)ACD/LogP: 1.047; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.80; (7)ACD/KOC (pH 5.5): 1.33; (8)ACD/KOC (pH 7.4): 43.29; (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: 1.546; (14)Molar Refractivity: 33.399 cm3; (15)Molar Volume: 105.422 cm3; (16)Polarizability: 13.24×10-24cm3; (17)Surface Tension: 44.33 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 95.674 °C; (20)Enthalpy of Vaporization: 47.133 kJ/mol; (21)Boiling Point: 234.585 °C at 760 mmHg; (22)Vapour Pressure: 0.0520 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cncc(c1N)F
(2) InChI: InChI=1S/C6H7FN2/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3,(H2,8,9)
(3) InChIKey: OUGVZDCOIWTZBH-UHFFFAOYSA-N