HuagongsheHuagongshe Chemistry Print Report · For research reference only
Alpha-Ethyltryptamine
Etryptamine · ALPHA-ETHYLTRYPTAMINE · Nsc88061 · Ro 3-1932 · AURORA KA-7710 · Ethyltryptamine · α-Ethyltryptamine · 3-Indolylbutylamine
Identifiers & Physical Properties
| CAS No. | 2235-90-7 |
|---|---|
| Molecular formula | C12H16N2 |
| Average molar mass | 188.27 g/mol |
| Monoisotopic mass | 188.13134852 g/mol |
| SMILES | CCC(N)Cc1c[nH]c2ccccc12 |
| InChIKey | ZXUMUPVQYAFTLF-UHFFFAOYSA-N |
| PubChem CID | 8367 |
| ChEMBL | CHEMBL1619758 |
| ChEBI | CHEBI:134838 |
| DTXSID | DTXSID1046764 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 41.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 181 |
| LogS | -2.57 |
| Solubility | 510DMF: 11 mg/mlDMSO: 5 mg/mlEthanol: 20 mg/mlEthanol:PBS(pH 7.2) (1:1): 0.5 mg/ml0.51g/L(room temperature) |
| Melting point | 22197-99° |
| Kovats Retention Index | 1848 |
| Boiling point | 313.29°C (rough estimate) |
| Density | 0.9520 (rough estimate) |
| Refractive index | 1.5600 (estimate) |
| Physical state | A crystalline solid |
| pKa (acidity coefficient) | 17.22±0.30(Predicted) |
| EWG's Food Scores | 1 |
| FDA UNII | GR181O3R32 |
Safety & Regulations
| Regulatory information | DEA schedule I controlled substance |
|---|
Applications & Uses
Uses
α-Ethyltryptamine (E931900) is used as a stimulant and entactogen that have actions at multiple central nervous system (CNS) receptor sites.