| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2005 | 15 | No |
Popular Name: (1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol (1S,2S)-(+)-2-Amino-1-(4-nitroph…
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CAS Numbers: 119-62-0 , 2964-48-9 , 716-61-0 , [119-62-0] , [2964-48-9]
(1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
(1S,2s)-2-amino-1-(4-nitrophenyl)-1,3-propanediol
(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol, 96%
1,3-propanediol, 2-amino-1-(4-nitrophenyl)-
2-Amino-1-(4-nitro-phenyl)-propane-1,3-diol
2-Amino-1-(4-nitrophenyl)-1,3-propanediol
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 | -1.26 | -54.05 | 5 | 6 | 1 | 114 | 213.213 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | -1.65 | -10.01 | 4 | 6 | 0 | 112 | 212.205 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 160 - 166 | Acros Organics |
| MP | 161-164° | Oakwood Chemical |
| 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 |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0937714A1; US6121460 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
