Carbamic acid, diphenyl-, 3-quinuclidinyl ester
Basic information
- CAS
17656-14-3- Standard SMILES
O=C(OC1CN2CCC1CC2)N(c1ccccc1)c1ccccc1- InChIKey
IJIHPPHWXPHTRG-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812795
Names & identifiers
- Preferred name
- Carbamic acid, diphenyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl N,N-diphenylcarbamate
Names & synonyms
3-Quinuclidyl diphenylcarbamateBRN 1493701CARBAMIC ACID, DIPHENYL-, 3-QUINUCLIDINYL ESTER17656-14-3RefChem:332421NSC665783SCHEMBL4083767CHEMBL1988383DTXSID90938808NSC-665783quinuclidin-3-yl N,N-diphenylcarbamateNCI60_022766
Show more names
1-Azabicyclo[2.2.2]oct-3-yl diphenylcarbamate1-Azabicyclo[2.2.2]octan-3-yl diphenylcarbamate
Database identifiers
- CAS
17656-14-3- PubChem CID
- 28676
- DTXSID
DTXSID90938808- ChEMBL
CHEMBL1988383- Nikkaji
- J67.595D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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