| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: H-DL-Phe-OMe.HCl H-DL-Phe-OMe.HCl
Find On: PubMed — Wikipedia — Google
CAS Numbers: 144600-01-1 , 5619-07-8 , 7/8/5619 12:00:00 AM
3-cyclohexyl-1-methoxy-1-oxo-2-propanaminium chloride
DL-Phenylalanine methyl ester hydrochloride
| 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) | 1.78 | 4.25 | -45.94 | 3 | 3 | 1 | 54 | 186.275 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 3.92 | -4.83 | 2 | 3 | 0 | 52 | 185.267 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 158 - 160 | KeyOrganics |
| Melting_Point | ca 160? dec. | Alfa-Aesar |
| Melting_Point | ca 160° dec. | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.