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1-Ethyl-1,2,3,4-tetrahydroisoquinoline

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Name

1-Ethyl-1,2,3,4-tetrahydroisoquinoline

EINECS 604-604-1
CAS No. 25939-81-5 Density 0.949 g/cm3
PSA 12.03000 LogP 2.61220
Solubility N/A Melting Point N/A
Formula C11H15N Boiling Point 257.4 °C at 760 mmHg
Molecular Weight 161.247 Flash Point 111.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 25939-81-5 (1-ETHYL-1,2,3,4-TETRA-HYDRO-ISOQUINOLINE) Hazard Symbols N/A
Synonyms

1-Ethyl-1,2,3,4-tetrahydroisoquinoline;

Article Data 2

1-Ethyl-1,2,3,4-tetrahydroisoquinoline Specification

The 1-Ethyl-1,2,3,4-tetrahydroisoquinoline, with CAS registry number 25939-81-5, belongs to the following product category: 1-ethyl-1,2,3,4-tetrahydroisoquinoline. It has the systematic name of 1-ethyl-1,2,3,4-tetrahydroisoquinoline. Besides this, it is also called isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-. And the chemical formula of this chemical is C11H15N.

Physical properties of 1-Ethyl-1,2,3,4-tetrahydroisoquinoline: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.513; (8)Molar Refractivity: 51.1 cm3; (9)Molar Volume: 169.8 cm3; (10)Polarizability: 20.25×10-24cm3; (11)Surface Tension: 34 dyne/cm; (12)Enthalpy of Vaporization: 49.49 kJ/mol; (13)Vapour Pressure: 0.0146 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde. This reaction will need reagent NaOH and solvents ethanol, H2O. The reaction time is 3 hour(s). The yield is about 59%.

Uses of 1-Ethyl-1,2,3,4-tetrahydroisoquinoline: it can be used to produce 1-ethyl-2-trimethylsilanylmethyl-1,2,3,4-tetrahydro-isoquinoline. This reaction will need solvent dimethylsulfoxide. The reaction time is 3 hour(s) with reaction temperature of 100 ℃. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(NCC2)CC
(2)InChI: InChI=1/C11H15N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-6,11-12H,2,7-8H2,1H3
(3)InChIKey: UDWVZWUSBKDYPY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H15N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-6,11-12H,2,7-8H2,1H3
(5)Std. InChIKey: UDWVZWUSBKDYPY-UHFFFAOYSA-N

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