| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 11 | Yes |
Popular Name: 2-phenylpropane-1,3-diamine dihydrochloride 2-phenylpropane-1,3-diamine dihy…
Find On: PubMed — Wikipedia — Google
CAS Number: 78533-94-5
| 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) | -0.01 | 1.13 | -121.54 | 6 | 2 | 2 | 55 | 152.241 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 0.74 | -40.51 | 5 | 2 | 1 | 54 | 151.233 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0722436A1; US5455262 | IBM Patent Data |
