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2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

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Name

2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid

EINECS N/A
CAS No. 1053656-29-3 Density 1.225 g/cm3
PSA 40.54000 LogP 2.88100
Solubility N/A Melting Point N/A
Formula C17H17NO2 Boiling Point 433.3 °C at 760 mmHg
Molecular Weight 267.32238 [g/mol] Flash Point 215.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1053656-29-3 (2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid) Hazard Symbols N/A
Synonyms

1,2,3,4-Tetrahydro-2-(phenylmethyl)-8-isoquinolinecarboxylic acid

 

2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid Specification

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 ;

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