| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: Tropine Tropine
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 120-29-6 , 135-97-7 , 258345-27-6 , 5945-50-6 , 7085-55-4 , 7432-10-2 , [120-29-6] , [135-97-7] , [7085-55-4]
(1R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium; pseudotropine
135-97-7; C02066; Pseudotropine
3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
3_,4_,7-Tris[O-(2-hydroxyethyl)]rutin
8-azabicyclo[3.2.1]octan-3-ol, 8-methyl-
8-Methyl-8-azabicyclo[3.2.1]-3-octanol
8-methyl-8-azabicyclo[3.2.1]octan-3-ol
8-Methyl-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CHEBI:45199; CHEBI:8609; CHEBI:14963; CHEBI:26363
endo-8-Methyl-8-azabicyclo[3.2.1]-3-octanol
endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
Exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol
| 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) | 0.48 | 1.92 | -31.24 | 2 | 2 | 1 | 25 | 142.222 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 232-234? | Alfa-Aesar |
| Boiling_Point | 232-234° | Alfa-Aesar |
| BP [°C] | 233 | Acros Organics |
| MP | 50-60 °C(lit.) | Indofine |
| ALOGPS_SOLUBILITY | 6.45e+02 g/l | DrugBank-experimental |
| Melting_Point | 61-65? (dried) | Alfa-Aesar |
| Melting_Point | 61-65° (dried) | Alfa-Aesar |
| Mp [°C] | 62 - 64 | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0067770A2; EP0067770B1; EP0239815A1; EP0418716A1; EP0418716B1; EP0560348A1; EP0650520A1; EP0866067A1; EP0866067B1; US5063204; US5352685; US5610138; US5801141; US6039956; US6147029; WO1990002812A1; WO1991001756A1; WO1992022328A1; WO1992022329A1; WO199402 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0085893A2; EP0086980A1; EP0111608A1; EP0306148A2; EP0306148B1; EP0323077A1; EP0323077B1; EP0361629A2; EP0361629B1; EP0494978A1; EP0494978B1; EP0642507A1; US4001249; US4127576; US4405580; US4424222; US4443452; US4486441; US4789673; US4797406; US4803199 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0604352A2; EP0604352A3; EP0604354A2; EP0604354A3; EP0604355A2; EP0604355A3; EP0604355B1; US5369113; US5374636; US5444070; US5554626 | IBM Patent Data |
| SOLUBILITY | H2O: 0.1 g/mL, clear | Indofine |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P264: Wash face, hands and any exposed skin thoroughly after handling; P270: Do not eat, drink or smoke when using this product; P261: Avoid breathing dust/fume/gas/mis | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| UniProt Database Links | TRN2_DATST; TRN2_HYONI | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
