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| CAS No.: | 5599-69-9 |
|---|---|
| Name: | 1H-Indole-3-ethanamine, N-ethyl-N-methyl- |
| Molecular Structure: | |
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| Formula: | C13H18N2 |
| Molecular Weight: | 202.3 |
| Synonyms: | Methyl-(2-(1H-indol-3-yl)-ethyl)-methylamine;N-Ethyl-2-(1H-indol-3-yl)-N-methylethanamine;N-Ethyl-N-[2-(1H-indol-3-yl)ethyl]-N-methylamine;N-Methyl-N-ethyltryptamine(MET); |
| Density: | 1.056 g/cm3 |
| Boiling Point: | 346 °C at 760 mmHg |
| Flash Point: | 163 °C |
| PSA: | 19.03000 |
| LogP: | 2.66210 |
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- 5599-69-9
Ethyl-(2-(1H-indol-3-yl)-ethyl)-methylamine
- 1294480-61-7
3-[2-(N-ethyl-N-methylamino)ethyl]-3-fluoro-2-oxoindole
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; Selectfluor In methanol; acetonitrile at 0 - 20℃; for 0.5h; | 92% |
- Total:23 Page 1 of 1 1
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Specification
The 1H-Indole-3-ethanamine, N-ethyl-N-methyl-, with the CAS registry number 5599-69-9, is also known as N-Methyl-N-ethyltryptamine. This chemical's molecular formula is C13H18N2 and molecular weight is 202.3. What's more, its systematic name is N-ethyl-2-(1H-indol-3-yl)-N-methylethanamine.
Physical properties of 1H-Indole-3-ethanamine, N-ethyl-N-methyl- are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 8.17 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 65.69 cm3; (9)Molar Volume: 191.4 cm3; (10)Polarizability: 26.04×10-24cm3; (11)Surface Tension: 43.7 dyne/cm; (12)Density: 1.056 g/cm3; (13)Flash Point: 163 °C; (14)Enthalpy of Vaporization: 59.01 kJ/mol; (15)Boiling Point: 346 °C at 760 mmHg; (16)Vapour Pressure: 5.94E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1c(cn2)CCN(CC)C
(2)InChI: InChI=1S/C13H18N2/c1-3-15(2)9-8-11-10-14-13-7-5-4-6-12(11)13/h4-7,10,14H,3,8-9H2,1-2H3
(3)InChIKey: MYEGVMLMDWYPOA-UHFFFAOYSA-N