| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 19 | Yes |
Popular Name: 1-n-Hexyltheobromine 1-n-Hexyltheobromine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1028-33-7 , [1028-33-7]
| 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) | 2.51 | 1.66 | -10.97 | 0 | 6 | 0 | 61 | 264.329 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 80-81? | Alfa-Aesar |
| Melting_Point | 80-81° | Alfa-Aesar |
| MP | 82-83° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT-HARMFUL | Matrix Scientific |
