| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 7 | Yes |
Popular Name: 4-Methylpiperidine 4-Methylpiperidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-89-4 , 626-58-4 , [626-58-4]
| 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) | 0.90 | 3.07 | -35.34 | 2 | 1 | 1 | 17 | 100.185 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | 2.9 | -94.7 | 7 | 9 | 2 | 139 | 392.467 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 122 | Acros Organics |
| Boiling_Point | 123-124? | Alfa-Aesar |
| Boiling_Point | 123-124° | Alfa-Aesar |
| BP | 127 | TCI |
| M.P | 134oC | Indofine |
| Mp [°C] | 4 - 5 | Acros Organics |
| Melting_Point | 4-5? | Alfa-Aesar |
| Melting_Point | 4-5° | Alfa-Aesar |
| Purity | 96% | Fluorochem |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H318: Causes serious eye damage; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R22: Harmful if swallowed.; R34: Causes burns. | 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.; S45: In case of accid | Acros Organics |
| PUBCHEM_PATENT_ID | WO2000026037A1 | IBM Patent Data |
