| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 3-Bromo-4-fluorobenzylamine hydrochloride 3-Bromo-4-fluorobenzylamine hydr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 202865-68-7 , 388072-39-7 , 77771-03-0 , 77771-03-0/202865-68-7 , [202865-68-7] , [77771-03-0]
1-(3-Bromo-4-fluorophenyl)methylamine hydrochloride
3-Bromo-4-fluorobenzylamine HCl
3-Bromo-4-fluorobenzylamine hydrochloride, 98%
3-Bromo-4-fluorobenzylamine, HCl
| 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) | 2.02 | 3.19 | -51.61 | 3 | 1 | 1 | 28 | 205.05 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 5.77 | -96.03 | 7 | 9 | 2 | 131 | 496.587 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 214 - 218 | Acros Organics |
| Melting_Point | 214-218? | Alfa-Aesar |
| Melting_Point | 214-218° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.