Name: METHYL 1,2,3,4-TETRAHYDROQUINOLINE-4-CARBOXYLATE
SKU: 68066-85-3

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Basic Information

Molecular Structure:
CAS No.:	68066-85-3
Name:	METHYL 1,2,3,4-TETRAHYDROQUINOLINE-4-CARBOXYLATE
Article Data:	4

Formula:	C₁₁H₁₃NO₂
Molecular Weight:	191.23
Synonyms:	methyl 1,2,3,4-tetrahydroquinoline-4-carboxylate;
Density:	1.125 g/cm³
Boiling Point:	291.909 °C at 760 mmHg
Flash Point:	130.342 °C
PSA:	38.33000
LogP:	1.89680

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Specification

This chemical is called 4-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester, and its systematic name is Methyl 1,2,3,4-tetrahydroquinoline-4-carboxylate. With the molecular formula of C₁₁H₁₃NO₂, its molecular weight is 191.23. The CAS registry number of the chemical is 68066-85-3.

Other characteristics of 4-Quinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 137; (8)ACD/KOC (pH 7.4): 141; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 52.726 cm³; (15)Molar Volume: 169.908 cm³; (16)Polarizability: 20.902×10^-24cm³; (17)Surface Tension: 38.924 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 130.342 °C; (20)Enthalpy of Vaporization: 53.138 kJ/mol; (21)Boiling Point: 291.909 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)C2c1c(cccc1)NCC2
2.InChI: InChI=1/C11H13NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-5,9,12H,6-7H2,1H3
3.InChIKey: LHPKFPPTKHGWCC-UHFFFAOYAH
4.Std. InChI: InChI=1S/C11H13NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-5,9,12H,6-7H2,1H3
5.Std. InChIKey: LHPKFPPTKHGWCC-UHFFFAOYSA-N