| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 14 | Yes |
Popular Name: 3,3'-(Piperazine-1,4-diyl)bis(propan-1-amine) 3,3'-(Piperazine-1,4-diyl)bis(pr…
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CAS Numbers: 7209-38-3 , [7209-38-3]
1,4-Bis(3-aminoprop-1-yl)piperazine
1,4-Bis(3-aminopropyl)piperazine
1,4-Bis(3-aminopropyl)piperazine, 98%
1,4-Bis-(3-aminoprop-1-yl)piperazine
1,4-bis-(3-aminopropyl)piperazine
1,4-Piperazinedipropanamine, tetrahydrochloride; LS-111975; VUFB-8982
| 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) | -1.62 | -0.46 | -173.55 | 7 | 4 | 3 | 63 | 203.354 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.62 | -2.82 | -97.43 | 6 | 4 | 2 | 62 | 202.346 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 14? | Alfa-Aesar |
| Melting_Point | 14° | Alfa-Aesar |
| Boiling_Point | 150-152?/2mm | Alfa-Aesar |
| Boiling_Point | 150-152°/2mm | Alfa-Aesar |
| BP | 158 / 14 | TCI |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466-6-O | Trypanosoma Cruzi (cluster #6 Of 8), Other | Other | 5000 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466 | Z50466 | Trypanosoma Cruzi | 5000 | 0.53 | Functional ≤ 10μM |
