| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 13 | Yes |
Popular Name: 2,5-Dimethoxyphenethylamine 2,5-Dimethoxyphenethylamine
2,5-DIMETHOXY PHENETHYLAMINE HYDROCHLORIDE
2,5-Dimethoxyphenethylamine hydrochloride
2,5-Dimethoxyphenethylamine, 97%
2,5-dimethoxyphenethylaminehydrochloride
2-(2,5-Dimethoxy-phenyl)-ethylamine
2-(2,5-Dimethoxy-phenyl)-ethylamine hydrochloride
2-(2,5-Dimethoxyphenyl)ethanamine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.96 | 1.95 | -43.42 | 3 | 3 | 1 | 46 | 182.243 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 160 | Acros Organics |
| Purity | 97% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H318: Causes serious eye damage; H332: Harmful if inhaled | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3000 | 0.59 | Binding ≤ 10μM |
| 5HT2C-3-E | Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 6400 | 0.56 | Binding ≤ 10μM |
| TAAR1-2-E | Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2010 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 2820 | 0.60 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 5520 | 0.57 | Binding ≤ 10μM |
| TAAR1_HUMAN | Q96RJ0 | Trace Amine-associated Receptor 1, Human | 2010 | 0.61 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Amine ligand-binding receptors | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
