Basic information
- CAS
53484-68-7- Standard SMILES
CN1C2CCC1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2- InChIKey
XXVZGWNHSCGMCT-UHFFFAOYSA-N- Molecular formula
- C22H25NO3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.18344366
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
- English name
- Hydroxy-diphenyl-acetic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester(WXG03166)
- Molecular formula
- C22H25NO3
- Molecular weight
- 351.44
Names & synonyms
1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzilate (ester)RefChem:1054818Ester benzilique de pseudo-tropine8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate74051-39-153484-68-7NSC 172168Ester benzilique de pseudo-tropine [French]1alpha-H,5alpha-H-Tropan-3-beta-ol, benzilate (ester)Benzilic acid, 1alpha-H,5alpha-H-tropan-3beta-yl esterBenzilic acid, 1-alpha-H,5-alpha-H-tropan-3-beta-yl esterOprea1_209140
Show more names
Tropicamide diphenylhydroxyacetateHydroxy-diphenyl-acetic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl esterHydroxy-diphenyl-acetic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester(WXG03166)Benzeneacetic acid, α-hydroxy-α-phenyl-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
Oprea1_561073SCHEMBL24520051.alpha.-H, benzilate (ester)DTXSID30968205HMS1673C17NSC130062NSC172168STK027910
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 444.7 · 444.7±34.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 11.29 · 11.29±0.29(Predicted)
Chemistry & industry
Suppliers4 total
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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