| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 8 | No |
Popular Name: 1-methyl-1H-imidazole-5-carbaldehyde 1-methyl-1H-imidazole-5-carbalde…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39021-62-0 , [39021-62-0]
1-Methyl-1H-imidazole-5-carboxaldehyde
1-Methylimidazole-5-carboxaldehyde
1-Methylimidazole-5-carboxaldehyde, 97%
1-Methylimidazole-5-carboxaldeyde
| 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) | -0.82 | 3.35 | -10.72 | 0 | 3 | 0 | 35 | 110.116 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.82 | 3.82 | -37.93 | 1 | 3 | 1 | 36 | 111.124 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 52 - 57 | Enamine Building Blocks |
| Melting_Point | 52-57? | Alfa-Aesar |
| Melting_Point | 52-57° | Alfa-Aesar |
| Mp [°C] | 53 - 54 | Acros Organics |
| MP | 53 - 55 | Enamine Building Blocks |
| MP | 53...55 | Enamine Building Blocks |
| MP | 55 - 57 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0192060A1; EP0482771A2; EP0482771B1; EP0647640A1; EP0647640B1; EP0722447A1; EP0820989A1; EP0892797A1; EP1054882A1; US4662905; US4742060; US4845106; US5180837; US5204360; US5219874; US5298507; US5410064; US5428032; US5461167; US5530136; US5580889; US5726 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.