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| CAS No.: | 105752-11-2 |
|---|---|
| Name: | 4-IODO-PYRIDIN-3-YLAMINE |
| Article Data: | 11 |
| Molecular Structure: | |
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|
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| Formula: | C5H5IN2 |
| Molecular Weight: | 220.013 |
| Synonyms: | (4-Iodo-3-pyridyl)amine;(4-Iodopyridin-3-yl)amine;4-Iodo-pyridin-3-ylamine; |
| EINECS: | -0 |
| Density: | 2.055 g/cm3 |
| Melting Point: | 69.2-69.5 °C |
| Boiling Point: | 327.2 °C at 760 mmHg |
| Flash Point: | 151.7 °C |
| Appearance: | tawny powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26-39 |
| PSA: | 38.91000 |
| LogP: | 1.84960 |
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Specification
The IUPAC name of 3-Amino-4-iodopyridine is 4-iodopyridin-3-amine. With the CAS registry number 105752-11-2, it is also named as 4-Iodo-pyridin-3-ylamine. The product's categories are Pyridine; Pyrdine Series. Besides, it is tawny powder, which should be stored in closed containers in a cool, dry warehouse away from oxidizing agents. In addition, its molecular formula is C5H5IN2 and molecular weight is 220.01.
The other characteristics of 3-Amino-4-iodopyridine can be summarized as: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 16.13 Å2; (7)Index of Refraction: 1.702; (8)Molar Refractivity: 41.48 cm3; (9)Molar Volume: 107 cm3; (10)Polarizability: 16.44×10-24cm3; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 2.055 g/cm3; (13)Flash Point: 151.7 °C; (14)Melting Point: 69.2-69.5 °C; (15)Enthalpy of Vaporization: 56.95 kJ/mol; (16)Boiling Point: 327.2 °C at 760 mmHg; (17)Vapour Pressure: 0.000205 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Ic1ccncc1N
(2)InChI: InChI=1/C5H5IN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
(3)InChIKey: ZJRSKTXMSIVNAU-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H5IN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
(5)Std. InChIKey: ZJRSKTXMSIVNAU-UHFFFAOYSA-N