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13337-69-4

Basic Information
CAS No.: 13337-69-4
Name: Tetrahydroquinolinecarboxylicacid
Article Data: 8
Molecular Structure:
Molecular Structure of 13337-69-4 (Tetrahydroquinolinecarboxylicacid)
Formula: C10H11NO2
Molecular Weight: 177.203
Synonyms: Cinchoninicacid, 1,2,3,4-tetrahydro- (8CI);
Density: 1.226 g/cm3
Melting Point: 217-218 °C
Boiling Point: 362.536 °C at 760 mmHg
Flash Point: 173.056 °C
Hazard Symbols: T
Risk Codes: 25-52
Safety: 45
PSA: 49.33000
LogP: 1.80840
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Specification

The 4-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, with CAS registry number 13337-69-4, has the systematic name of 1,2,3,4-tetrahydroquinoline-4-carboxylic acid. Besides this, it is also called Tetrahydroquinolinecarboxylic acid. And the chemical formula of this chemical is C10H11NO2.

Physical properties of 4-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.026; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.261; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.33 Å2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 47.883 cm3; (14)Molar Volume: 144.545 cm3; (15)Polarizability: 18.982×10-24cm3; (16)Surface Tension: 48.27 dyne/cm; (17)Density: 1.226 g/cm3; (18)Flash Point: 173.056 °C; (19)Enthalpy of Vaporization: 64.203 kJ/mol; (20)Boiling Point: 362.536 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by quinoline-4-carboxylic acid. This reaction will need reagents tin, concentrated hydrochloric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(CCN2)C(=O)O
(2)InChI: InChI=1/C10H11NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,11H,5-6H2,(H,12,13)
(3)InChIKey: LHJKXHUFXRHBBQ-UHFFFAOYAO