| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 10 | No |
Popular Name: Tropinone Tropinone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 423165-07-5 , 532-24-1 , 733715-75-8 , [532-24-1]
3-Tropanone; 532-24-1; C00783; Tropinone
8-Azabicyclo[3.2.1]oct-2-en-3-ol, 8-methyl- (9CI)
8-Methyl-8-azabicyclo[2.2.1]octan-3-one
8-Methyl-8-azabicyclo[3.2.1]octan-3-one
CHEBI:46048; CHEBI:9760; CHEBI:27159; CHEBI:15270
tropiniumone cation; tropiniumone(1+); tropinone; tropinone cation
| 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) | 0.29 | 4.52 | -40.92 | 1 | 2 | 1 | 22 | 140.206 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 113 (p=25 torr) | Acros Organics |
| BP | 218 | TCI |
| Boiling_Point | 227? | Alfa-Aesar |
| Boiling_Point | 227° | Alfa-Aesar |
| MP | 40 - 44 | Enamine Building Blocks |
| Melting_Point | 40-43? | Alfa-Aesar |
| Melting_Point | 40-43° | Alfa-Aesar |
| MP | 40...44 | Enamine Building Blocks |
| Mp [°C] | 41 - 44 | Acros Organics |
| MP | 43 | TCI |
| ALOGPS_SOLUBILITY | 5.41e+02 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| PUBCHEM_PATENT_ID | EP0011246A1; EP0013138A1; EP0053744A1; EP0081054A2; EP0085892A1; EP0086453A2; EP0215650A2; EP0215650B1; EP0220339A1; EP0245505A1; EP0245505B2; EP0316718A2; EP0316718B1; EP0498331A1; EP0498331B1; EP0505778A1; EP0505778B1; EP0536512A1; EP0536512B1; EP058780 | IBM Patent Data |
| Patent Database Links | EP1318200; US2005227336; US2006173063 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H318: Causes serious 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 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| UniProt Database Links | TPRL1_ERYCB; TPRL2_ERYCB; TPRL3_ERYCB; TRN1_DATST; TRN2_DATST; TRN2_HYONI; TRNH1_ARATH; TRNH_DATST | ChEBI |
