| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 15 | No |
Popular Name: Tridecanoic acid Tridecanoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 638-53-9
| 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) | 5.54 | 9.73 | -44.99 | 0 | 2 | -1 | 40 | 213.341 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 236 (p=100 torr) | Acros Organics |
| ALOGPS_SOLUBILITY | 3.91e-03 g/l | DrugBank-experimental |
| Mp [°C] | 40 - 45 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0743347A3; US5856394; US5859123 | IBM Patent Data |
| Patent Database Links | EP0962459; EP1564200; EP1878435; EP1932532; US2004122094; US2004242594 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water; 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 | Acros Organics |
| UniProt Database Links | PA2A1_BUNCE | ChEBI |
| R phrase | R36/38: Irritating to eyes and 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| PUBCHEM_PATENT_ID | WO1998039376A1 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.