| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2005 | 15 | No |
Popular Name: 2-Amino-1-(4-nitrophenyl)-1,3-propanediol 2-Amino-1-(4-nitrophenyl)-1,3-pr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119-62-0 , 2964-48-9 , 716-61-0 , [119-62-0]
(1R,2R)-(-)-2-Amino-1-(4-Nitrophenyl)-1,3-Propanediol
(1S,2S)-2-Amino-1-(4-Nitrophenyl)Propane-1,3-Diol
1,3-propanediol, 2-amino-1-(4-nitrophenyl)-
2-amino-1-(4-nitrophenyl)propane-1,3-diol
| 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) | -0.68 | -1.69 | -54.16 | 5 | 6 | 1 | 114 | 213.213 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | -2 | -9.19 | 4 | 6 | 0 | 112 | 212.205 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 163 | TCI |
| MP | 163 - 166 | Enamine Building Blocks |
| MP | 163...166 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
