| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 16 | Yes |
Popular Name: 2-(4-Benzylpiperidin-1-yl)ethanamine 2-(4-Benzylpiperidin-1-yl)ethana…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25842-32-4 , [25842-32-4]
1-(2-aminoethyl)-4-benzylpiperidine
2-(4-Benzylpiperdin-1-yl)ethylamine
2-(4-Benzylpiperidin-1-yl)ethylamine
| 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) | 1.72 | 4.65 | -43.66 | 3 | 2 | 1 | 31 | 219.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 6.52 | -33.71 | 3 | 2 | 1 | 30 | 219.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 4.28 | -2.39 | 2 | 2 | 0 | 29 | 218.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 6.95 | -117.1 | 4 | 2 | 2 | 32 | 220.36 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 130 - 131 (p=3 torr) | Acros Organics |
| Purity | 95% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | R34: Causes burns. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; 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 | Acros Organics |
