| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 14 | Yes |
Popular Name: 2-piperidinoisonicotinonitrile 2-piperidinoisonicotinonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 127680-89-1 , [127680-89-1]
2-(Piperidin-1-yl)isonicotinonitrile
2-(piperidin-1-yl)pyridine-4-carbonitrile
2-piperidin-1-ylisonicotinonitrile
2-piperidino-4-pyridyl cyanide
| 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) | 1.76 | 5.59 | -5.11 | 0 | 3 | 0 | 40 | 187.246 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 153 - 155 (p=0.6 torr) | Acros Organics |
| Mp [°C] | 55 - 57 | Acros Organics |
| melting_point | 58 - 60 | KeyOrganics |
| MP | 58-60° | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H315: Causes skin 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | 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 | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 |
