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| CAS No.: | 68313-46-2 |
|---|---|
| Name: | 4-AMINOQUINOLINE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H8N2O2 |
| Molecular Weight: | 188.186 |
| Synonyms: | 4-Aminoquinoline-3-carboxylic acid; |
| Density: | 1.43 g/cm3 |
| Boiling Point: | 409.8 ºC at 760 mmHg |
| Flash Point: | 201.6 ºC |
| PSA: | 76.21000 |
| LogP: | 2.09640 |
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Specification
The 3-Quinolinecarboxylicacid, 4-amino-, with the CAS registry number 68313-46-2, is also known as 4-Amino-quinoline-3-carboxylic acid. It belongs to the product category of Aminoacid. This chemical's molecular formula is C10H8N2O2 and molecular weight is 188.18272. What's more, its systematic name is called 4-Aminoquinoline-3-carboxylic acid.
Physical properties about 3-Quinolinecarboxylicacid, 4-amino- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.745; (12)Molar Refractivity: 53.353 cm3; (13)Molar Volume: 131.583 cm3; (14)Surface Tension: 79.749 dyne/cm; (15)Density: 1.43 g/cm3; (16)Flash Point: 201.617 °C; (17)Enthalpy of Vaporization: 69.801 kJ/mol; (18)Boiling Point: 409.762 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 3-Quinolinecarboxylicacid, 4-amino-: this chemical can be prepared by 4-Carbamoyl-quinoline-3-carboxylic acid. This reaction needs reagents Br2, KOH and solvent H2O at temperature of 10 °C. The reaction time is 1 hour.
Uses of 3-Quinolinecarboxylicacid, 4-amino-: it is used to produce other chemicals. For example, it is used to produce 4-Amino-quinoline-3-carboxylic acid methyl ester. The reaction occurs with reagent H2SO4 and other condition of heating for 7 hours. The yield is 31 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(c2ccccc2nc1)N
(2) InChI: InChI=1/C10H8N2O2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5H,(H2,11,12)(H,13,14)
(3) InChIKey: UEFKMJWKPVAVND-UHFFFAOYAQ