Bicyclo(2.2.1)heptan-2-ol, 3-(1-pyrrolidinylmethyl)-1,7,7-trimethyl-, alpha-phenylbenzeneacetate (ester)
Basic information
- CAS
17092-69-2- Standard SMILES
CC1(C)C2CCC1(C)C(OC(=O)C(c1ccccc1)c1ccccc1)C2CN1CCCC1- InChIKey
SZMUSBMEZPVXNU-UHFFFAOYSA-N- Molecular formula
- C29H37NO2
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.28242942
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)heptan-2-ol, 3-(1-pyrrolidinylmethyl)-1,7,7-trimethyl-, alpha-phenylbenzeneacetate (ester)
- IUPAC
- [1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
Names & synonyms
Difenilacetato di 3-pirrolidinometil-2-bornanolo [Italian]17092-69-22-Bornanol, 3-(1-pyrrolidinylmethyl)-, diphenylacetate (ester)Difenilacetato di 3-pirrolidinometil-2-bornanoloBicyclo(2.2.1)heptan-2-ol, 3-(1-pyrrolidinylmethyl)-1,7,7-trimethyl-, alpha-phenylbenzeneacetate (ester)RefChem:329217DTXSID909378711,7,7-Trimethyl-3-[(pyrrolidin-1-yl)methyl]bicyclo[2.2.1]heptan-2-yl diphenylacetate
Database identifiers
- CAS
17092-69-2- PubChem CID
- 204902
- DTXSID
DTXSID90937871
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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