| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2010 | 10 | Yes |
Popular Name: 5-Bromo-N1-methylbenzene-1,2-diamine 5-Bromo-N1-methylbenzene-1,2-dia…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 337915-79-4 , [337915-79-4]
1,2-Benzenediamine, 4-bromo-N2-methyl
4-Bromo-N2-methylbenzene-1,2-diamine
5-bromo-1-N-methylbenzene-1,2-diamine
| 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 | 2.06 | -3.63 | 3 | 2 | 0 | 38 | 201.067 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 1.92 | -44.09 | 4 | 2 | 1 | 40 | 202.075 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.