Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Quinolinecarboxylicacid, 3-methyl-2-phenyl- |
EINECS | N/A |
CAS No. | 43071-45-0 | Density | 1.248 g/cm3 |
PSA | 50.19000 | LogP | 3.90840 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H13NO2 | Boiling Point | 443.2 °C at 760 mmHg |
Molecular Weight | 263.296 | Flash Point | 221.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Phenyl-3-methyl-4-quinolinecarboxylicacid;3-Methyl-2-phenylcinchoninic acid;3-Methyl-2-phenylquinoline-4-carboxylicacid; |
Article Data | 12 |
The 4-Quinolinecarboxylicacid, 3-methyl-2-phenyl-, with the CAS registry number 43071-45-0, is also known as 2-Phenyl-3-methyl-4-quinolinecarboxylicacid. This chemical's molecular formula is C17H13NO2 and molecular weight is 263.29. What's more, its systematic name is 3-methyl-2-phenylquinoline-4-carboxylic acid.
Physical properties of 4-Quinolinecarboxylicacid, 3-methyl-2-phenyl- are: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 2.51; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 11.11; (8)ACD/KOC (pH 7.4): 4.56; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 78.53 cm3; (15)Molar Volume: 210.8 cm3; (16)Polarizability: 31.13×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 221.8 °C; (20)Enthalpy of Vaporization: 73.86 kJ/mol; (21)Boiling Point: 443.2 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c3ccccc3nc(c1C)c2ccccc2
(2)InChI: InChI=1S/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
(3)InChIKey: ZSVACLAZDFXWQG-UHFFFAOYSA-N