| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 14 | Yes |
Popular Name: Decanedioic acid Decanedioic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111-20-6 , 17265-14-4 , 19370-86-6 , [111-20-6] , [17265-14-4] , [19402-63-2]
111-20-6; C08277; Decanedioic acid; Sebacic acid
C10-DCA(2-); decanedioate; decanedioate(2-); sebacate
Decanedioic acid disodium salt
| 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) | 2.38 | 8.23 | -94.3 | 0 | 4 | -2 | 80 | 200.234 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 6.25 | -48.06 | 1 | 4 | -1 | 77 | 201.242 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 131 - 134 | Acros Organics |
| Melting_Point | 131-134? | Alfa-Aesar |
| Melting_Point | 131-134° | Alfa-Aesar |
| M.P | 133-137 °C | Indofine |
| MP | 134 | TCI |
| BP [°C] | 294.4 (p=100 torr) | Acros Organics |
| Boiling_Point | 295?/100mm | Alfa-Aesar |
| Boiling_Point | 295°/100mm | Alfa-Aesar |
| MP | 76 - 79 | Enamine Building Blocks |
| MP | 76...79 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 9.12e-01 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP0827954; EP0962459; EP1149836; EP1550444; EP1555278; EP1621566; EP1623697; EP1679071; EP1700858; EP1738760; EP1816116; EP1857097; EP1992340; EP2005959; US2001042341; US2003031635; US2003075197; US2004034091; US2005249784; US2006205770; US2007184068; US2 | ChEBI |
| SOLUBILITY | ethanol: 100 mg/mL | Indofine |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
