Basic information
- CAS
2002-30-4- Standard SMILES
O=C(OCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1- InChIKey
HNVBUDCGAROXSW-UHFFFAOYSA-N- Molecular formula
- C24H29NO3
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.21474379
Names & identifiers
- Preferred name
- 9-Azabicyclo(3.3.1)nonane, 9-(2-hydroxyethyl)-, benzilate
- IUPAC
- 2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenylacetate
- English name
- α-Hydroxy-α-phenylbenzeneacetic acid 2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester
- Molecular formula
- C24H29NO3
- Molecular weight
- 379.49
Names & synonyms
KSD 2240BRN 16910692002-30-49-AZABICYCLO(3.3.1)NONANE, 9-(2-HYDROXYETHYL)-, BENZILATE9-(2-Hydroxyethyl)-9-azabicyclo(3.3.1)nonane benzilateDTXSID90173838N-(omega-Hydroxyethyl)-norgranatan alpha-hydroxy-alpha-diphenylacetyl ester [German]N-(omega-Hydroxyethyl)-norgranatan alpha-hydroxy-alpha-diphenylacetyl esterRefChem:312972DTXCID3096329NSC665682CHEMBL1964418
Show more names
KSD-2240α-Hydroxy-α-phenylbenzeneacetic acid 2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl esterBenzeneacetic acid, α-hydroxy-α-phenyl-, 2-(9-azabicyclo[3.3.1]non-9-yl)ethyl ester
NSC-665682NCI60_0226692-(9-Azabicyclo[3.3.1]non-9-yl)ethyl hydroxy(diphenyl)acetate2-(9-Azabicyclo[3.3.1]nonan-9-yl)ethyl hydroxydi(phenyl)acetate2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate
Database identifiers
- CAS
2002-30-4- PubChem CID
- 16159
- DTXSID
DTXSID90173838- ChEMBL
CHEMBL1964418- Nikkaji
- J54.650J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Toxicity
- 50 subcutaneous · LD50 subcutaneous in mouse: 335mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 subcutaneous in mouse: 335mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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