| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 13 | Yes |
Popular Name: (S)-1-(Pyridin-3-ylmethyl)pyrrolidin-3-amine trihydrochloride (S)-1-(Pyridin-3-ylmethyl)pyrrol…
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CAS Number: 169452-31-7
(S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine hydrochloride
1-(Pyridin-3-ylmethyl)pyrrolidin-3-amine trihydrochloride
| 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) | -0.50 | 3.05 | -119.12 | 4 | 3 | 2 | 45 | 179.267 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.50 | 0.6 | -45.76 | 3 | 3 | 1 | 44 | 178.259 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.50 | 1.07 | -85.68 | 4 | 3 | 2 | 45 | 179.267 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | WO2000005232A1 | IBM Patent Data |
