4-Quinolinecarboxylicacid, 2-(4-methoxyphenyl)- supplier

Name
2-(4-METHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 4364-02-7
Article Data27
CAS DataBase
Density 1.277 g/cm³
Solubility
Melting Point 210 °C
Formula C₁₇H₁₃NO₃
Boiling Point 486.4 °C at 760mmHg
Molecular Weight 279.295
Flash Point 248 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Cinchoninicacid, 2-(p-methoxyphenyl)- (7CI,8CI);2-(4-Methoxyphenyl)-4-quinolinecarboxylicacid;2-(p-Methoxyphenyl)cinchoninic acid;4'-Methoxy-2-phenylcinchoninic acid;4'-Methoxycinchophen;
PSA 59.42000
LogP 3.60860

4-Quinolinecarboxylicacid, 2-(4-methoxyphenyl)- Specification

The 4-Quinolinecarboxylicacid, 2-(4-methoxyphenyl)-, with the CAS registry number of 4364-02-7, is also known as 2-(p-Methoxyphenyl)cinchoninic acid. This chemical's molecular formula is C₁₇H₁₃NO₃ and molecular weight is 279.29. What's more, its IUPAC name is 2-(4-Methoxyphenyl)quinoline-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Quinolinecarboxylicacid, 2-(4-methoxyphenyl)- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.03; (8)ACD/KOC (pH 7.4): 2.06; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 80.38 cm³; (15)Molar Volume: 218.5 cm³; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.277 g/cm³; (18)Flash Point: 248 °C; (19)Enthalpy of Vaporization: 79.21 kJ/mol; (20)Boiling Point: 486.4 °C at 760 mmHg; (21)Vapour Pressure: 2.84E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c3ccccc3nc(c1)c2ccc(OC)cc2
(2) InChI: InChI=1/C17H13NO3/c1-21-12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)
(3) InChIKey: ZCNPYYVKVXSLQF-UHFFFAOYAB

Product Name

2-(4-METHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID

4-Quinolinecarboxylicacid, 2-(4-methoxyphenyl)- Specification

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