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| CAS No.: | 71469-82-4 |
|---|---|
| Name: | Ethyl (6-aminopyridin-2-yl)acetate |
| Molecular Structure: | |
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| Formula: | C9H12N2O2 |
| Molecular Weight: | 180.206 |
| Synonyms: | (6-Aminopyridin-2-yl)aceticacid ethyl ester;Ethyl (6-aminopyridin-2-yl)acetate;2-pyridineacetic acid, 6-amino-, ethyl ester; |
| EINECS: | 200-589-5 |
| Density: | 1.168 g/cm3 |
| Boiling Point: | 298.663 °C at 760 mmHg |
| Flash Point: | 134.427 °C |
| PSA: | 65.21000 |
| LogP: | 1.35060 |
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Specification
The Ethyl (6-aminopyridin-2-yl)acetate, with the CAS registry number 71469-82-4, is also called 2-pyridineacetic acid, 6-amino-, ethyl ester. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C9H12N2O2.
The characteristics of Ethyl (6-aminopyridin-2-yl)acetate are as followings: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 23; (8)ACD/KOC (pH 7.4): 71; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.21 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 49.17 cm3; (15)Molar Volume: 154.25 cm3; (16)Polarizability: 19.493×10-24cm3; (17)Surface Tension: 49.021 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 134.427 °C; (20)Enthalpy of Vaporization: 53.86 kJ/mol; (21)Boiling Point: 298.663 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1cccc(CC(=O)OCC)n1
(2)InChI: InChI=1/C9H12N2O2/c1-2-13-9(12)6-7-4-3-5-8(10)11-7/h3-5H,2,6H2,1H3,(H2,10,11)
(3)InChIKey: AJIPGVQKXQFJNX-UHFFFAOYAX