- InChI
- InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
- InChI Key
- NCIKQJBVUNUXLW-UHFFFAOYSA-N
- Formula
- C11H14N2
- SMILES
- CNCCc1c[nH]c2ccccc12
- Molecular Weight1
- 174.24
- CAS
- 61-49-4
- Other Names
-
- N«omega»-Methyltryptamine
- Indole, 3-(2-(methylamino)ethyl)-
- Dipterine
- 3-(2-(Methylamino)ethyl)indole
- Methyltryptamine
- N-Methyltryptamine
- N-Monomethyltryptamine
- 2-(1H-Indol-3-yl)-N-methylethanamine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5418 | Relay (1.0) Calculated Property | |
| ΔfG° | 297.77 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 148.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.60 ± 0.08 | eV | NIST |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.448 | Crippen Calculated Property | |
| McVol | 146.890 | ml/mol | McGowan Calculated Property |
| Pc | 3173.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1745.00; 1770.00] |
|
|
| Inp | 1745.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Tboil | 592.01 | K | Relay (1.0) Calculated Property |
| Tc | 845.40 | K | Relay (1.0) Calculated Property |
| Tfus | 375.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole-3-ethanamine, N-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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