| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: 3-Amino-4-methylbenzotrifluoride 3-Amino-4-methylbenzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25449-96-1 , [25449-96-1]
2-Methyl-5-(trifluoromethyl)anilin
2-Methyl-5-(trifluoromethyl)aniline
2-Methyl-5-(trifluoromethyl)aniline, 98%
2-Methyl-5-trifluoromethylaniline
3-Amino-4-methylbenzotrifluoride 98%
Benzenamine, 2-methyl-5-(trifluoromethyl)-
| 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) | 2.69 | 1.81 | -3.49 | 2 | 1 | 0 | 26 | 175.153 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 34-38° | Matrix Scientific |
| MP | 36 - 38 | Enamine Building Blocks |
| Melting_Point | 36-40? | Alfa-Aesar |
| Melting_Point | 36-40° | Alfa-Aesar |
| MP | 36...38 | Enamine Building Blocks |
| MP | 37 - 38 | Enamine Building Blocks |
| MP | 38 - 38 | Enamine Building Blocks |
| MP | 38 - 40 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Toxic | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.