| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 8 | Yes |
Popular Name: 4-cyanopiperidine 4-cyanopiperidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-48-1 , 240401-22-3 , 4395-98-6 , [228251-24-9] , [240401-22-3] , [4395-98-6]
4-piperidinecarbonitrile hydrochloride
Piperidine-4-carbonitrile hydrochloride
| 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) | 0.31 | 2.75 | -49.15 | 2 | 2 | 1 | 40 | 111.168 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 100 - 105 (p=12 torr) | Acros Organics |
| MP | 190 - 192 | Enamine Building Blocks |
| MP | 190...192 | Enamine Building Blocks |
| MP | 192 - 194 | Enamine Building Blocks |
| Boiling_Point | 226? | Alfa-Aesar |
| Boiling_Point | 226° | Alfa-Aesar |
| BP | 86°/3.8mm | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
| 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; P304 + P340: IF INHALED: Remove to fresh air and keep at r | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R23/24: Toxic by inhalation and in contact with 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.