| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 7th, 2006 | 7 | Yes |
Popular Name: 3-Methylpyridine 3-Methylpyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-99-6 , 626-56-2 , [108-99-6]
| 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) | 1.15 | 3.39 | -3.96 | 0 | 1 | 0 | 13 | 93.129 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 3.86 | -29.14 | 1 | 1 | 1 | 14 | 94.137 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 18? | Alfa-Aesar |
| Melting_Point | 18° | Alfa-Aesar |
| Mp [°C] | 19 | Acros Organics |
| ALOGPS_SOLUBILITY | 1.97e+02 g/l | DrugBank-experimental |
| BP | 142 | TCI |
| BP [°C] | 143 - 144 | Acros Organics |
| Boiling_Point | 143-144? | Alfa-Aesar |
| Boiling_Point | 143-144° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP0789020; EP1074544; EP1273583; EP1288213; EP1584618; EP1859801; US2005215570; US2006041114; US2006246557; US2007243132; WO2005016505; WO2005097793; WO2005105747; WO2005113528; WO2006041457; WO2006062978; WO2007127136 | ChEBI |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H319: Causes serious eye irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H315: Causes skin irritation; H226: Flammable liquid and vapor | Acros Organics |
| 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P340: IF INHALED: Remove victim to fresh air and ke | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.