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CAS No.: | 92976-98-2 |
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Name: | (S)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.203 |
Synonyms: | L-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid; |
Density: | 1.225 g/cm3 |
Boiling Point: | 392.6 °C at 760 mmHg |
Flash Point: | 191.2 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 49.33000 |
LogP: | 1.63590 |
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The 2-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (2S)-, with its CAS registry number 92976-98-2, has other name of L-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid. And this chemical has its molecular formula of C10H11NO2 and molecular weight of 177.2. Besides, it should be kept in the cool and dry place. This chemical is irritating to eyes, respiratory system and skin, and you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Physical properties of 2-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, (2S)-: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1 ; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.13; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 49.33 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 47.88 cm3; (13)Molar Volume: 144.5 cm3; (14)Polarizability: 18.98×10-24cm3; (15)Surface Tension: 48.2 dyne/cm; (16)Density: 1.225 g/cm3; (17)Flash Point: 191.2 °C; (18)Enthalpy of Vaporization: 67.75 kJ/mol; (19)Boiling Point: 392.6 °C at 760 mmHg; (20)Vapour Pressure: 7.22E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:OC(=O)[C@@H]1CCc2ccccc2N1
(2)Std. InChI:InChI=1S/C10H11NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
(3)Std. InChIKey:OSJVTYVKQNOXPP-VIFPVBQESA-N