| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 21 | Yes |
Popular Name: benzyl 4-[(3-aminopropyl)amino]piperidine-1-carboxylate dihydrochloride benzyl 4-[(3-aminopropyl)amino]p…
Find On: PubMed — Wikipedia — Google
CAS Number: 936129-66-7
benzyl4-[(3-aminopropyl)amino]piperidine-1-carboxylatedihydrochloride
| 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) | 1.04 | 5.4 | -119.71 | 5 | 5 | 2 | 74 | 293.411 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 5.02 | -47.56 | 4 | 5 | 1 | 72 | 292.403 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 4.2 | -48.36 | 4 | 5 | 1 | 69 | 292.403 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 2.080000000000000e+002 - 2.100000000000000e+002 | KeyOrganics |
| melting_point | 208 - 210 | KeyOrganics |
| MP | 208-210° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
