| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 11 | Yes |
Popular Name: Ethyl nicotinate Ethyl nicotinate
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CAS Numbers: 5006-62-2 , 614-18-6 , [614-18-6]
3-Pyridinecarboxylic acid, ethyl ester (9CI)
614-18-6; D08274; Ethyl nicotinate; Mucotherm (TN); Nicotine 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) | 0.91 | 4.31 | -5.98 | 0 | 3 | 0 | 39 | 151.165 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 223-224? | Alfa-Aesar |
| Boiling_Point | 223-224° | Alfa-Aesar |
| BP | 224 | TCI |
| MP | 8-10° | Oakwood Chemical |
| Melting_Point | 8-9? | Alfa-Aesar |
| Melting_Point | 8-9° | Alfa-Aesar |
| Purity | 97% | APIChem |
| Purity | 98% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.