- InChI
- InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
- InChI Key
- DMULVCHRPCFFGV-UHFFFAOYSA-N
- Formula
- C12H16N2
- SMILES
- CN(C)CCc1c[nH]c2ccccc12
- Molecular Weight1
- 188.27
- CAS
- 61-50-7
- Other Names
-
- 1H-Indole-3-ethanamine, N,N-dimethyl-
- Indole, 3-[2-(dimethylamino)ethyl]-
- 2-(3-Indolyl)ethyldimethylamine
- 3-(2-Dimethylaminoethyl)indole
- Dimethyltryptamine
- DMT
- 2-(1H-Indol-3-yl)-N,N-dimethylethanamine
- N,N-dimethyl-1H-indole-3-ethylamine
- 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 | 0.5246 | Relay (1.0) Calculated Property | |
| ΔfG° | 322.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 139.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.30; 7.57] | eV |
|
| IE | 7.30 | eV | NIST |
| IE | 7.57 ± 0.05 | eV | NIST |
| log10WS | -2.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.790 | Crippen Calculated Property | |
| McVol | 160.980 | ml/mol | McGowan Calculated Property |
| Pc | 2768.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1745.00; 1750.00] |
|
|
| Inp | 1750.00 | NIST | |
| Inp | 1750.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Inp | 1750.00 | NIST | |
| Tboil | 589.73 | K | Relay (1.0) Calculated Property |
| Tc | 831.96 | K | Relay (1.0) Calculated Property |
| Tfus | 372.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N,N-Dimethyltryptamine.
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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