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CAS No.: | 4779-54-8 |
---|---|
Name: | 2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID HYDRAZIDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C16H13N3O |
Molecular Weight: | 263.299 |
Synonyms: | Cinchoninicacid, 2-phenyl-, hydrazide (7CI,8CI);2-Phenylcinchoninic acid hydrazide;2-Phenylquinoline-4-carboxylic acid hydrazide;Cinchophen hydrazide;NSC 13140;NSC 19426; |
Density: | 1.256 g/cm3 |
Hazard Symbols: | Xi |
PSA: | 68.01000 |
LogP: | 3.59650 |
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The 4-Quinolinecarboxylicacid, 2-phenyl-, hydrazide, with the CAS registry number 4779-54-8, is also known as 2-Phenylcinchoninic acid hydrazide. This chemical's molecular formula is C16H13N3O and molecular weight is 263.29. What's more, its systematic name is 2-phenylquinoline-4-carbohydrazide.
Physical properties of 4-Quinolinecarboxylicacid, 2-phenyl-, hydrazide are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.36; (6)ACD/BCF (pH 7.4): 24.4; (7)ACD/KOC (pH 5.5): 341.92; (8)ACD/KOC (pH 7.4): 342.55; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.44 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 79.3 cm3; (15)Molar Volume: 209.5 cm3; (16)Polarizability: 31.43×10-24cm3; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.256 g/cm3.
Uses of 4-Quinolinecarboxylicacid, 2-phenyl-, hydrazide: it can be used to produce 2-phenyl-quinoline-4-carboxylic acid N'-(2-hydroxy-4-oxo-4-phenyl-but-2-enoyl)-hydrazide at the temperature of 70 - 80 °C. It will need solvent dioxane. The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN
(2)InChI: InChI=1S/C16H13N3O/c17-19-16(20)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,17H2,(H,19,20)
(3)InChIKey: OXZWSKCISAPCJD-UHFFFAOYSA-N