| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: ETHYL 3-PYRIDYLACETATE ETHYL 3-PYRIDYLACETATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39931-77-6 , 64995-88-6 , [39931-77-6]
2-(Piperidin-3-yl)-acetic acid ethyl ester
3-Pyridineacetic acid ethyl ester
| 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) | 1.12 | 5.07 | -8.41 | 0 | 3 | 0 | 39 | 165.192 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 5.35 | -34.23 | 1 | 3 | 1 | 40 | 166.2 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 79-80?/0.4mm | Alfa-Aesar |
| Boiling_Point | 79-80°/0.4mm | Alfa-Aesar |
| BP [°C] | 80 (p=0.4 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| melting_point | Oil | KeyOrganics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful 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 |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
