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| CAS No.: | 371945-06-1 |
|---|---|
| Name: | Furo[2,3-b]pyridine-2-carboxylic acid, 3-amino-, ethyl ester (9CI) |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H10N2O3 |
| Molecular Weight: | 206.201 |
| Synonyms: | Ethyl 3-aminofuro[2,3-b]pyridine-2-carboxylate;ethyl 3-aminofuro[2,3-b]pyridine-2-carboxylate;furo[2,3-b]pyridine-2-carboxylic acid, 3-amino-, ethyl ester;3-Amino-furo[2,3-b]pyridine-2-carboxylic acid ethyl ester; |
| Density: | 1.319 g/cm3 |
| Melting Point: | 134 °C |
| Boiling Point: | 342 °C at 760 mmHg |
| Flash Point: | 160.6 °C |
| PSA: | 78.35000 |
| LogP: | 2.16790 |
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Specification
The Furo[2,3-b]pyridine-2-carboxylicacid, 3-amino-, ethyl ester, with the CAS registry number 371945-06-1, has the systematic name of ethyl 3-aminofuro[2,3-b]pyridine-2-carboxylate. It belongs to the product category of Aminoacid. And the molecular formula of the chemical is C10H10N2O3.
The characteristics of Furo[2,3-b]pyridine-2-carboxylicacid, 3-amino-, ethyl ester are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.01; (6)ACD/BCF (pH 7.4): 10.52; (7)ACD/KOC (pH 5.5): 178.47; (8)ACD/KOC (pH 7.4): 187.59; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 78.35 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 55.12 cm3; (15)Molar Volume: 156.2 cm3; (16)Polarizability: 21.85×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 160.6 °C; (20)Enthalpy of Vaporization: 58.57 kJ/mol; (21)Boiling Point: 342 °C at 760 mmHg; (22)Vapour Pressure: 7.75E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)c2oc1ncccc1c2N
(2)InChI: InChI=1/C10H10N2O3/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3
(3)InChIKey: BBWDTHBRBASZIK-UHFFFAOYAE