Basic information
- CAS
101711-00-6- Standard SMILES
CC1C(OC(=O)C(O)(c2ccccc2)C(C)C)C2CCN1CC2- InChIKey
MLORIUYYKBHBAX-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.19909372
Names & identifiers
- Preferred name
- Mandelic acid, alpha-isopropyl-, 2-methyl-3-quinuclidinyl ester
- IUPAC
- (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-3-methyl-2-phenylbutanoate
- English name
- (7-methyl-1-azabicyclo[2.2.2]oct-8-yl) 2-hydroxy-3-methyl-2-phenyl-but anoate
- Molecular formula
- C19H27NO3
- Molecular weight
- 0
Names & synonyms
101711-00-62-Methyl-3-quinuclidyl isopropyl(phenyl)glycolate A2-Methyl-3-quinuclidyl phenyl(isopropyl)glycolate BMANDELIC ACID, alpha-ISOPROPYL-, 2-METHYL-3-QUINUCLIDINYL ESTERRefChem:351934(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-3-methyl-2-phenylbutanoateDTXSID40906557(7-METHYL-1-AZABICYCLO[2.2.2]OCT-8-YL) 2-HYDROXY-3-METHYL-2-PHENYL-BUT ANOATE2-METHYL-1-AZABICYCLO[2.2.2]OCTAN-3-YL 2-HYDROXY-3-METHYL-2-PHENYLBUTANOATEBenzeneacetic acid, alpha-hydroxy-alpha-(1-methylethyl)-, 2-methyl-1-azabicyclo[2.2.2]oct-3-yl ester(7-Methyl-1-azabicyclo[2.2.2]octan-8-yl)2-hydroxy-3-methyl-2-phenylbutanoate
Database identifiers
- CAS
101711-00-6- PubChem CID
- 58808
- DTXSID
DTXSID40906557- Nikkaji
- J147.710B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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