| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 13 | Yes |
Popular Name: (S,S)-1-(3-Methyl-2-methylamino-butyl)-pyrrolidin-3-ol dihydrochloride (S,S)-1-(3-Methyl-2-methylamino-…
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CAS Numbers: 1217852-55-5 , 1260619-57-5 , 193693-68-4
(2S,3'S)-1-(3-METHYL-2-METHYLAMINO-BUTYL)-PYRROLIDIN-3-OL 2HCL
(S,S)-1-(3-Methyl-2-methylamino-butyl)-pyrrolidin-
| 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) | 0.72 | 2.54 | -108.93 | 4 | 3 | 2 | 41 | 188.315 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 1.22 | -30.06 | 3 | 3 | 1 | 37 | 187.307 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0670318A2; EP0670318A3; US5472961 | IBM Patent Data |
