| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: Methyl 1-methyl-1H-imidazole-4-carboxylate Methyl 1-methyl-1H-imidazole-4-c…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17289-19-9 , [17289-19-9]
1-Methyl-1H-imidazole-4-carboxylic acid methyl ester
Methyl 1-Methylimidazole-4-carboxylate
| 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) | 0.07 | 4.39 | -11.26 | 0 | 4 | 0 | 44 | 140.142 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 4.85 | -36.72 | 1 | 4 | 1 | 45 | 141.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 102 - 103 | Acros Organics |
| MP | 102-104° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
