3-(Diphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane
Basic information
- CAS
1927-08-8- Standard SMILES
CN1C2CCCC1CC(OC(c1ccccc1)c1ccccc1)C2- InChIKey
DTDYYBIONIVPBL-UHFFFAOYSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- 3-(Diphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane
- IUPAC
- 3-benzhydryloxy-9-methyl-9-azabicyclo[3.3.1]nonane
- English name
- (1α,5α)-3β-(Diphenylmethoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
- Molecular formula
- C22H27NO
- Molecular weight
- 321.46
Names & synonyms
1927-08-8DTXSID009409323-(Diphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane3-(diphenylmethoxy)-9-methyl-9-azabicyclo[3.3.1]nonaneRefChem:1067126DTXCID201369384N-Methyl-norgranatanol-3-alpha-benzhydrylaether [German]KSD 2032KSD 20837079-18-7BRN 14356583-alpha-(Diphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane
Show more names
(1α,5α)-3β-(Diphenylmethoxy)-9-methyl-9-azabicyclo[3.3.1]nonane9-Azabicyclo[3.3.1]nonane, 3-(diphenylmethoxy)-9-methyl-, endo- (9CI)
9-AZABICYCLO(3.3.1)NONANE, 3-alpha-(DIPHENYLMETHOXY)-9-METHYL-N-Methyl-norgranatanol-3-alpha-benzhydrylaetherN-Methyl-norgranatanol-3-beta-benzhydrylaether [German]3-beta-(Diphenylmethoxy)-9-methyl-9-azabicyclo(3.3.1)nonane9-AZABICYCLO(3.3.1)NONANE, 3-beta-(DIPHENYLMETHOXY)-9-METHYL-N-Methyl-norgranatanol-3-beta-benzhydrylaether
Database identifiers
- CAS
1927-08-8、7079-18-7- PubChem CID
- 15988
- DTXSID
DTXSID00940932
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 424.186 · 424.186±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.104 · 1.104±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.607 · 10.607±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…