Basic information
- CAS
87922-67-6- Standard SMILES
CC(C)(C)C1(O)CCN2CC(c3ccc(Cl)cc3Cl)CCC2C1- InChIKey
AXHJIZWVVZQWEU-UHFFFAOYSA-N- Molecular formula
- C19H27Cl2NO
- Average molar mass
- 356.3 g/mol
- Monoisotopic mass
- 355.1469699
Overview
RN & structure given in first source; RN given refers to (+-)-isomer; RN for cpd without isomeric designation not available 3/84
Names & identifiers
- Preferred name
- 2-tert-butyl-7-(2,4-dichlorophenyl)octahydro-2H-quinolizin-2-ol
- IUPAC
- 2-tert-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
- English name
- 2-tert-butyl-7-(2,4-dichlorophenyl)octahydro-2H-quinolizin-2-ol
- Molecular weight
- 0
Names & synonyms
2-Bdoqo87922-67-62-tert-Butyl-7-(2,4-dichlorophenyl)octahydro-2H-quinolizin-2-olDTXSID601007875RefChem:89412DTXCID801434721
Database identifiers
- CAS
87922-67-6- PubChem CID
- 137367
- DTXSID
DTXSID601007875
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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