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CAS No.: | 1053656-29-3 |
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Name: | 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid |
Molecular Structure: | |
Formula: | C17H17NO2 |
Molecular Weight: | 267.32238 [g/mol] |
Synonyms: | 1,2,3,4-Tetrahydro-2-(phenylmethyl)-8-isoquinolinecarboxylic acid |
Density: | 1.225 g/cm3 |
Boiling Point: | 433.3 °C at 760 mmHg |
Flash Point: | 215.9 °C |
PSA: | 40.54000 |
LogP: | 2.88100 |
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The 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid, its cas register number is 1053656-29-3. It also can be called as 1,2,3,4-Tetrahydro-2-(phenylmethyl)-8-isoquinolinecarboxylic acid and the systematic name about this chemical is 2-Benzyl-3,4-dihydro-1H-isoquinoline-8-carboxylic acid. It belongs to the chiral chemicals.
Physical properties about 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 40.54Å2; (5)Index of Refraction: 1.634; (6)Molar Refractivity: 78.09 cm3; (7)Molar Volume: 218.1 cm3; (8)Polarizability: 30.95x10-24cm3; (9)Surface Tension: 54.6 dyne/cm; (10)Enthalpy of Vaporization: 72.66 kJ/mol; (11)Vapour Pressure: 2.81E-08 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC2=C(C=CC=C21)C(=O)O)CC3=CC=CC=C3;
(2)InChI: InChI=1S/C17H17NO2/c19-17(20)15-8-4-7-14-9-10-18(12-16(14)15)11-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,20) ;
(3)InChIKey: GUQLZRGVJWNFOR-UHFFFAOYSA-N ;