1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]- supplier

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Name
3-[2-(ETHYL-METHYL-AMINO)-ETHYL]-1H-INDOL-4-OL
EINECS
CAS No. 77872-41-4
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O
Boiling Point 403.051 °C at 760 mmHg
Molecular Weight 218.299
Flash Point 197.559 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[2-(ETHYL-METHYL-AMINO)-ETHYL]-1H-INDOL-4-OL;1H-Indol-4-ol,3-[2-(ethylMethylaMino)ethyl]-;4-HO-MET;4-Hydroxy-N-Methyl-N-ethyltryptaMine;(3-(2-diethylaMinoethyl)-1H-indol-4-yl) acetate HCl;Metocin
PSA 39.26000
LogP 2.36770

1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]- Specification

The 1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]-, with the CAS registry number 77872-41-4, is also known as 3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-4-ol . This chemical's molecular formula is C₁₃H₁₈N₂O and molecular weight is 218.29482. Its systematic name is called 3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-ol.

Physical properties of 1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]-: (1)ACD/LogP: 1.96; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.63; (10)Molar Refractivity: 67.579 cm³; (11)Molar Volume: 189.892 cm³; (12)Surface Tension: 50.961 dyne/cm; (13)Density: 1.15 g/cm³; (14)Flash Point: 197.559 °C; (15)Enthalpy of Vaporization: 67.977 kJ/mol; (16)Boiling Point: 403.051 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]-: 1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]- can be prepared by acetic acid 3-(ethyl-methyl-carbamoanecarbonyl)-1H-indol-4-yl ester. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran. The reaction time is 15 min. The yield is about 41%.

1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]- can be prepared by acetic acid 3-(ethyl-methyl-carbamoanecarbonyl)-1H-indol-4-yl ester

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(C)CCC1=CNC2=C1C(=CC=C2)O;
(2)InChI: InChI=1S/C13H18N2O/c1-3-15(2)8-7-10-9-14-11-5-4-6-12(16)13(10)11/h4-6,9,14,16H,3,7-8H2,1-2H3;
(3)InChIKey: ORWQBKPSGDRPPA-UHFFFAOYSA-N;

Product Name

3-[2-(ETHYL-METHYL-AMINO)-ETHYL]-1H-INDOL-4-OL

1H-Indol-4-ol,3-[2-(ethylmethylamino)ethyl]- Specification

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