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| CAS No.: | 227963-57-7 |
|---|---|
| Name: | ETHYL 3-(2-AMINO-5-BROMOPYRIDIN-3-YL)ACRYLATE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C10H12N2O2 |
| Molecular Weight: | 192.217 |
| Synonyms: | ethyl (E)-3-(6-aminopyridin-3-yl)prop-2-enoate |
| EINECS: | 256-495-9 |
| Density: | 1.183 g/cm3 |
| Melting Point: | 142.8-142.9 °C |
| Boiling Point: | 356.6 °C at 760 mmHg |
| Flash Point: | 169.4 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 65.21000 |
| LogP: | 1.82130 |
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Specification
The 2-Propenoic acid,3-(6-amino-3-pyridinyl)-, ethyl ester, (2E)- is an organic compound with the formula C10H12N2O2. The IUPAC name of this chemical is ethyl (E)-3-(6-aminopyridin-3-yl)prop-2-enoate. With the CAS registry number 227963-57-7, it is also named as 3-(6-Amino-pyridin-3-yl)-acrylic acid ethyl ester. Besides, it should be stored in a closed cool and dry place.
Physical properties about 2-Propenoic acid,3-(6-amino-3-pyridinyl)-, ethyl ester, (2E)- are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): 1.21; (3)ACD/LogD (pH 7.4): 1.35; (4)ACD/BCF (pH 5.5): 4.53; (5)ACD/BCF (pH 7.4): 6.29; (6)ACD/KOC (pH 5.5): 93.44; (7)ACD/KOC (pH 7.4): 129.66; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 65.21 Å2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 55.51 cm3; (14)Molar Volume: 162.4 cm3; (15)Polarizability: 22×10-24cm3; (16)Surface Tension: 51.2 dyne/cm; (17)Density: 1.183 g/cm3; (18)Flash Point: 169.4 °C; (19)Enthalpy of Vaporization: 60.18 kJ/mol; (20)Boiling Point: 356.6 °C at 760 mmHg; (21)Vapour Pressure: 2.9E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(/C=C/C(=O)OCC)cn1
(2)InChI: InChI=1/C10H12N2O2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3,(H2,11,12)/b6-4+
(3)InChIKey: GXLHWGSBMOMMOD-GQCTYLIABR
(4)Std. InChI: InChI=1S/C10H12N2O2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3,(H2,11,12)/b6-4+
(5)Std. InChIKey: GXLHWGSBMOMMOD-GQCTYLIASA-N