| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: 4-Bromophenethylamine 4-Bromophenethylamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1122-96-9 , 206559-45-7 , 39260-89-4 , 73918-56-6 , [206559-45-7] , [73918-56-6]
2-(4-Bromo-phenyl)-ethylamine; hydrochloride
2-(4-bromophenyl)ethan-1-amine
2-(4-Bromophenyl)ethanamine hydrobromide
2-(4-Bromophenyl)ethanamine hydrochloride
2-(4-Bromophenyl)ethylamine hydrochloride
2-(4-Bromophenyl)ethylamine, 98%
2-(4-Bromophenyl)ethylaminehydrochloride
4-Bromophenethylamine CONTROLLED DRUG CLASS A SCHEDULE 1
4-Bromophenethylamine hydrobromide
4-Bromophenethylamine hydrobromideCONTROLLED DRUG CLASS A SCHEDULE 1
4-Bromophenethylaminehydrobromide
4-Methoxypyridine-N-oxide hydrate
BROMOPHENETHYLAMINEHYDROBROMIDE 4-
| 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) | 1.73 | 3.94 | -47.77 | 3 | 1 | 1 | 28 | 201.087 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 272-274° | Matrix Scientific |
| BP [°C] | 63 - 72 (p=0.2 torr) | Acros Organics |
| Boiling_Point | 63-72?/0.2mm | Alfa-Aesar |
| BP | 63-72° | Oakwood Chemical |
| BP | 72 / 0.2 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | 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-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1770 | 0.81 | Binding ≤ 10μM |
| TAAR1-2-E | Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1540 | 0.81 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 1770 | 0.81 | Binding ≤ 10μM |
| TAAR1_HUMAN | Q96RJ0 | Trace Amine-associated Receptor 1, Human | 1540 | 0.81 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Amine ligand-binding receptors | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.