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| CAS No.: | 177202-83-4 |
|---|---|
| Name: | 2-PYRIDIN-3-YLANILINE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C11H10N2 |
| Molecular Weight: | 170.214 |
| Synonyms: | 2-PYRIDIN-3-YLANILINE;2-(Pyridin-3-yl)aniline 95%;2-pyridin-3-ylphenylaMine;3-(2-Aminophenyl)pyridine |
| Density: | 1.133 g/cm3 |
| Melting Point: | 214-216 °C (decomp)(Solv: water (7732-18-5); ethanol (64-17-5)) |
| Boiling Point: | 329.8 °C at 760 mmHg |
| Flash Point: | 179.5 °C |
| PSA: | 38.91000 |
| LogP: | 2.91200 |
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- Total:24 Page 1 of 1 1
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Specification
This chemical is called 2-(Pyridin-3-yl)aniline, and its CAS registry number is 177202-83-4. With the molecular formula of C11H10N2, its molecular weight is 170.21.
Other characteristics of the 2-(Pyridin-3-yl)aniline can be summarised as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 5.96; (6)ACD/BCF (pH 7.4): 6.42; (7)ACD/KOC (pH 5.5): 122.22; (8)ACD/KOC (pH 7.4): 131.65; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 53.17 cm3; (15)Molar Volume: 150.2 cm3; (16)Polarizability: 21.07×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 179.5 °C; (20)Enthalpy of Vaporization: 57.23 kJ/mol; (21)Boiling Point: 329.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000174 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2cccc(c1c(cccc1)N)c2
2.InChI: InChI=1/C11H10N2/c12-11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,12H2
3.InChIKey: MTYHJHATMPCNLW-UHFFFAOYAJ