| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 7th, 2006 | 6 | Yes |
Popular Name: 4-Methylimidazole 4-Methylimidazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 71759-89-2 , 822-36-6 , [1219805-95-4] , [822-36-6]
4(5)-methylimidazole; 4-MEI; 4-METHYLIMIDAZOLE; 4-Me-i; 4MI
| 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) | 0.15 | 3.22 | -30.67 | 2 | 2 | 1 | 30 | 83.114 | 0 | ↓ |
| Ref Reference (pH 7) | 0.15 | 3.19 | -30.65 | 2 | 2 | 1 | 30 | 83.114 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 2.7 | -6.46 | 1 | 2 | 0 | 29 | 82.106 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 2.73 | -6.87 | 1 | 2 | 0 | 29 | 82.106 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 135-138? | Alfa-Aesar |
| Melting_Point | 135-138° | Alfa-Aesar |
| BP | 262-264° | Oakwood Chemical |
| BP [°C] | 263 | Acros Organics |
| Boiling_Point | 263? | Alfa-Aesar |
| Boiling_Point | 263° | Alfa-Aesar |
| MP | 44-47° | Oakwood Chemical |
| MP | 46-48° | Oakwood Chemical |
| Melting_Point | 47-54? | Alfa-Aesar |
| Melting_Point | 47-54° | Alfa-Aesar |
| Melting_Point | 49-57? | Alfa-Aesar |
| MP | 52 | TCI |
| Mp [°C] | 52 - 56 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| PUBCHEM_PATENT_ID | EP0004535A2; EP0006102A1; EP0015516A1; EP0032058A1; EP0034725A2; EP0035066A2; EP0036129A1; EP0039828A1; EP0050458A2; EP0069443A1; EP0081679A2; EP0087534A1; EP0091056A2; EP0097783A1; EP0106652A1; EP0113226A1; EP0115049A1; EP0123001A1; EP0131842A1; EP014332 | IBM Patent Data |
| H phrase | H311: Toxic in contact with skin; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; 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 |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.