| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2009 | 6 | No |
Popular Name: N-(N-PROPYL)ETHYLENEDIAMINE N-(N-PROPYL)ETHYLENEDIAMINE
Find On: PubMed — Wikipedia — Google
CAS Number: 111-39-7
LS-125690; N-Ethylidenepropylamine; N-Propylethylideneamine; Propylamine, N-ethylidene-
| 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) | 1.43 | 2.06 | -2.45 | 0 | 1 | 0 | 12 | 85.15 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 2.98 | -31.67 | 1 | 1 | 1 | 14 | 86.158 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 3.06 | -31.15 | 1 | 1 | 1 | 14 | 86.158 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0671663B1; EP0725316A1; EP0725316B1; EP0763782A1; US5716745; US5800956; US5846679 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.