| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 10 | No |
Popular Name: STACHYDRINE HYDROCHLORIDE STACHYDRINE HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4136-37-2 , 471-87-4 , [4136-37-2]
(2S)-1,1-Dimethyl-2-pyrrolidiniumcarboxylate hydrochloride
4136-37-2; Prestwick_450; Stachydrine hydrochloride
CPD-821; N,N-dimethyl proline; proline betaine; stachydrine
| 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) | -4.00 | 2.3 | -37.65 | 0 | 3 | 0 | 40 | 143.186 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.06e+00 g/l | DrugBank-experimental |
| MP | 225°C | Indofine |
| PUBCHEM_PATENT_ID | US5182299; US5952267; US5972840; US6083876; WO1991014435A1; WO1996014749A1; WO1996023413A1; WO1996032850A1; WO1997047196A1; WO1998037763A1; WO1998046074A1; WO1999004784A1 | IBM Patent Data |
