| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 4 | Yes |
Popular Name: Ethyl cyanide Ethyl cyanide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 107-12-0 , [107-12-0]
| 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) | 0.38 | 2.65 | -6.34 | 0 | 1 | 0 | 24 | 55.08 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 92? | Alfa-Aesar |
| Melting_Point | 92° | Alfa-Aesar |
| Mp [°C] | 93 | Acros Organics |
| BP [°C] | 97 | Acros Organics |
| Boiling_Point | 97-98? | Alfa-Aesar |
| Boiling_Point | 97-98° | Alfa-Aesar |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; T: Toxic | Acros Organics |
| H phrase | H330: Fatal if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H310: Fatal in contact with skin; H300: Fatal if swallowed; H319: Causes serious eye irritation; H225: Highly flammable liquid and vapor | Acros Organics |
| 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P304 + P340: IF INHALED: | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R20: Harmful by inhalation.; R24/25: Toxic in contact with skin and if swallowed.; R36: Irritating to eyes. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.