Basic information
- CAS
6606-07-1- Standard SMILES
O=C(OCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
KFHGBFSJTGAPMS-UHFFFAOYSA-N- Molecular formula
- C24H28ClNO3
- Average molar mass
- 413.9 g/mol
- Monoisotopic mass
- 413.1757714
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, p-chlorobenzilate
- IUPAC
- 2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
- English name
- 4-Chlorobenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester
- Molecular formula
- C24H28ClNO3
- Molecular weight
- 413.93702
Names & synonyms
KSD 23936606-07-1BRN 16031489-(2-Hydroxyethyl)-9-azabicyclo(3.3.1)nonane p-chlorobenzilate9-Azabicyclo(3.3.1)nonane, 9-(4'-chlorobenziloyloxyethyl)-9-AZABICYCLO(3.3.1)NONANE, 9-(2-HYDROXYETHYL)-, p-CHLOROBENZILATEN-(omega-Hydroxyethyl)-norgranatan alpha-hydroxy-alpha-(4-chlorodiphenylacetyl)esterN-(omega-Hydroxyethyl)-norgranatan alpha-hydroxy-alpha-(4-chlorodiphenylacetyl)ester [German]RefChem:312974DTXSID409845372-(9-Azabicyclo[3.3.1]nonan-9-yl)ethyl (4-chlorophenyl)(hydroxy)(phenyl)acetate2-(9-Azabicyclo[3.3.1]nonan-9-yl)ethyl (4-chlorophenyl)(hydroxy)phenylacetate
Show more names
KSD-23934-Chlorobenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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