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| CAS No.: | 5382-49-0 |
|---|---|
| Name: | 1,2,3,4-TETRAHYDRO-6-QUINOLINECARBOXYLIC ACID |
| Article Data: | 22 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H11NO2 |
| Molecular Weight: | 177.203 |
| Synonyms: | 1,2,3,4-Tetrahydroquinoline-6-carboxylicacid;1,2,3,4-Tetrahydro-6-quinolinecarboxylic acid; |
| Density: | 1.223 g/cm3 |
| Melting Point: | 168 °C |
| Boiling Point: | 382.6 °C at 760 mmHg |
| Flash Point: | 185.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 45 |
| PSA: | 49.33000 |
| LogP: | 1.88090 |
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- Total:23 Page 1 of 1 1
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Specification
The 6-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, with the CAS registry number 5382-49-0, is also known as 1,2,3,4-Tetrahydro-6-quinolinecarboxylic acid. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.2. What's more, its systematic name is 1,2,3,4-Tetrahydroquinoline-6-carboxylic acid.
Physical properties of 6-Quinolinecarbonitrile,4-chloro- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 9.76; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 119.72; (8)ACD/KOC (pH 7.4): 2.4; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 48.7 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 19.3×10-24 cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.223 g/cm3; (19)Flash Point: 185.2 °C; (20)Enthalpy of Vaporization: 66.57 kJ/mol; (21)Boiling Point: 382.6 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2c(c1)CCCN2
(2)InChI: InChI=1S/C10H11NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H,12,13)
(3)InChIKey: ARNALYPZOYPNAF-UHFFFAOYSA-N