| Identification | |
| Name: | 5H-[1]Benzopyrano[2,3-b]pyridine-3-carboxylicacid, 2-amino-7-(1-methylethyl)-5-oxo-, ethyl ester |
| Synonyms: | ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylate;5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-, ethyl ester; |
| CAS: | 68301-99-5 |
| Molecular Formula: | C18H18N2O4 |
| Molecular Weight: | 326.35 |
| InChI: | InChI=1/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20) |
| Molecular Structure: | ![(C18H18N2O4) ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylate;5H-[1]benzopyrano[2,3-b...](https://img1.guidechem.com/chem/e/dict/14/68301-99-5.jpg) |
| Properties | |
| Melting Point: | 243-244 ºC |
| Density: | 1.286 |
| Refractive index: | 1.614 |
| Specification: |
The Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate, with the cas registry number 68301-99-5, has the systematic name of ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylate. The molecular formula of the chemical is C18H18N2O4. The characteristics of this chemical are as followings: (1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.93 ; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 91.51 Å2; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 88.44 cm3; (11)Molar Volume: 253.5 cm3; (12)Polarizability: 35.06×10-24cm3; (13)Surface Tension: 56 dyne/cm; (14)Density: 1.286 g/cm3; (15)Flash Point: 273.5 °C; (16)Enthalpy of Vaporization: 80.34 kJ/mol; (17)Boiling Point: 528.5 °C at 760 mmHg; (18)Vapour Pressure: 2.94E-11 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
 |
|
