2-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester, (2S)- supplier

Name
(S)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 63492-82-0
Article Data12
CAS DataBase
Density 1.125 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₂
Boiling Point 315 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 144.3 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 2-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester, (S)-;
PSA 38.33000
LogP 1.72430

2-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester, (2S)- Specification

The 2-Quinolinecarboxylicacid, 1, 2, 3, 4-tetrahydro-, methyl ester, (2S)-, with the CAS registry number 63492-82-0, is also known as (S)-1, 2, 3, 4-Tetrahydro-quinoline-2-carboxylic acid methyl ester. This chemical's molecular formula is C₁₁H₁₃NO₂ and molecular weight is 191.23. What's more, its systematic name is Methyl (2S)-1, 2, 3, 4-tetrahydroquinoline-2-carboxylate.

Physical properties about 2-Quinolinecarboxylicacid, 1, 2, 3, 4-tetrahydro-, methyl ester, (2S)- are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.54 Å²; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 52.72 cm³; (9)Molar Volume: 169.9 cm³; (10)Polarizability: 20.9×10^-24 cm³; (11)Surface Tension: 38.9 dyne/cm; (12)Density: 1.125 g/cm³; (13)Flash Point: 144.3 °C; (14)Enthalpy of Vaporization: 55.62 kJ/mol; (15)Boiling Point: 315 °C at 760 mmHg; (16)Vapour Pressure: 0.000449 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@H]2Nc1ccccc1CC2
(2) InChI: InChI=1/C11H13NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-5,10,12H,6-7H2,1H3/t10-/m0/s1
(3) InChIKey: ACEPYLDNGYGKDY-JTQLQIEIBC

Product Name

(S)-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER

2-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester, (2S)- Specification

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