| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 11 | Yes |
Popular Name: 8-Methylquinoline 8-Methylquinoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52601-70-4 , 611-32-5 , 86-58-8 , [611-32-5]
| 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) | 2.34 | 5.71 | -6.26 | 0 | 1 | 0 | 13 | 143.189 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 6.07 | -28.58 | 1 | 1 | 1 | 14 | 144.197 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 80 | Acros Organics |
| MP | 80 - -78 | Enamine Building Blocks |
| MP | 80 - -80 | Enamine Building Blocks |
| Melting_Point | 80? | Alfa-Aesar |
| MP | 80° | Matrix Scientific |
| MP | 81 - -80 | Enamine Building Blocks |
| MP | 82 - -80 | Enamine Building Blocks |
| MP | 82...-80 | Enamine Building Blocks |
| Boiling_Point | 134-136?/25mm | Alfa-Aesar |
| Boiling_Point | 134-136°/25mm | Alfa-Aesar |
| BP | 135-136°/25mm | Matrix Scientific |
| BP [°C] | 245 - 248 | Acros Organics |
| BP | 248 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| H phrase | H341: Suspected of causing genetic defects | Acros Organics |
| H phrase | H341: Suspected of causing genetic defects; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | 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; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| UniProt Database Links | Q2OA_COMTE; Q2OB_COMTE; Q2OG_COMTE | ChEBI |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R68: Possible risks of irreversible effects. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
