| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 11 | Yes |
Popular Name: 1-(3-pyrrolidinylmethyl)pyrrolidine dihydrochloride 1-(3-pyrrolidinylmethyl)pyrrolid…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1219981-46-0 , 763065-29-8 , 933687-93-5 , N/A , [1219981-46-0]
1-(3-Pyrrolidinylmethyl)pyrrolidinedihydrochloride
1-(Pyrrolidin-3-ylmethyl)pyrrolidine dihydrochloride
3-(pyrrolidin-1-ylmethyl)pyrrolidine
| 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) | 1.03 | 4.71 | -99.55 | 3 | 2 | 2 | 21 | 156.273 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 3.27 | -32.15 | 2 | 2 | 1 | 16 | 155.265 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0900797A1; US5977097 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.