| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: Isonicotinamide Isonicotinamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1453-82-3 , 39546-32-2 , [1453-82-3]
1453-82-3; C02421; Isonicotinamide; Isonicotineamide
| 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) | -0.53 | -0.48 | -9.3 | 2 | 3 | 0 | 56 | 122.127 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 155 - 158 | Acros Organics |
| Melting_Point | 155-158? | Alfa-Aesar |
| Melting_Point | 155-158° | Alfa-Aesar |
| MP | 158 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Patent Database Links | EP1422218; US2002052399; US2004044047; US2004229922; US2007179183; US2007238669; WO2005000842; WO2005007656; WO2005014599; WO2005016342; WO2005037845; WO2005047294; WO2005049604; WO2005057215; WO2005059107; WO2005074513; WO2005075482; WO2005090319; WO2005 | ChEBI |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | MICAL_DROME | ChEBI |
| 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 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.