| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: 2-Amino-5-cyanobenzotrifluoride 2-Amino-5-cyanobenzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Number: 327-74-2
2-Amino-5-cyanobenzotrifluoride 99%
4-Amino-3-(trifluoromethyl)benzonitrile
4-Amino-3-(trifluoromethyl)benzonitrile, 98%
4-Amino-3-trifluoromethyl benzonitrile
4-Amino-3-trifluoromethylbenzonitrile
4-Amino-3-trifluoromethylbenzonitrile;2-Amino-5-cyanobenzotrifluoride
4-Cyano-2-(trifluoromethyl)aniline
| 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) | 2.00 | 3.93 | -6.4 | 2 | 2 | 0 | 50 | 186.136 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 100?/0.1mm | Alfa-Aesar |
| BP | 100°/0.1mm | Matrix Scientific |
| Melting_Point | 60-63? | Alfa-Aesar |
| MP | 60-63° | Matrix Scientific |
| MP | 64-65° | Matrix Scientific |
| MP | 64-66° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Warnings | TOXIC | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.