| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 9 | Yes |
Popular Name: N1-(sec-Butyl)-1,3-propanediamine N1-(sec-Butyl)-1,3-propanediamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 854650-36-5 , [854650-36-5]
| 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) | 0.38 | 1.74 | -103.1 | 5 | 2 | 2 | 44 | 132.251 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 0.57 | -41.61 | 4 | 2 | 1 | 40 | 131.243 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 1.36 | -33.94 | 4 | 2 | 1 | 43 | 131.243 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
