CAS No.25939-81-5,1-ETHYL-1,2,3,4-TETRA-HYDRO-ISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25939-81-5
Name:	1-ETHYL-1,2,3,4-TETRA-HYDRO-ISOQUINOLINE
Article Data:	2

Formula:	C₁₁H₁₅N
Molecular Weight:	161.247
Synonyms:	1-Ethyl-1,2,3,4-tetrahydroisoquinoline;
EINECS:	604-604-1
Density:	0.949 g/cm³
Boiling Point:	257.4 °C at 760 mmHg
Flash Point:	111.1 °C
PSA:	12.03000
LogP:	2.61220

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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