- InChI
- InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
- InChI Key
- PYOUAIQXJALPKW-UHFFFAOYSA-N
- Formula
- C11H14N2
- SMILES
- Cc1ccc2[nH]cc(CCN)c2c1
- Molecular Weight1
- 174.24
- CAS
- 1821-47-2
- Other Names
-
- 1H-Indole-3-ethanamine, 5-methyl
- Indole, 3-(aminoethyl)-5-methyl-
- 5-Methyl-3-(aminoethyl)indole
- Tryptamine, 5-methyl
- 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 | 0.5988 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 86.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.60; 7.64] | eV |
|
| IE | 7.60 | eV | NIST |
| IE | 7.64 ± 0.05 | eV | NIST |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.496 | Crippen Calculated Property | |
| McVol | 146.890 | ml/mol | McGowan Calculated Property |
| Pc | 3331.66 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1795.00; 1795.00] |
|
|
| Inp | 1795.00 | NIST | |
| Inp | 1795.00 | NIST | |
| Tboil | 601.51 | K | Relay (1.0) Calculated Property |
| Tc | 860.28 | K | Relay (1.0) Calculated Property |
| Tfus | 420.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyltryptamine.
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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