1H-Azepine, hexahydro-1-[2-(4-iodophenoxy)ethyl]-
Basic information
- CAS
553681-55-3- Standard SMILES
Ic1ccc(OCCN2CCCCCC2)cc1- InChIKey
LQDNECYDNQNQOA-UHFFFAOYSA-N- Molecular formula
- C14H20INO
- Average molar mass
- 345.22 g/mol
- Monoisotopic mass
- 345.05896
Names & identifiers
- Preferred name
- 1H-Azepine, hexahydro-1-[2-(4-iodophenoxy)ethyl]-
- IUPAC
- 1-[2-(4-iodophenoxy)ethyl]azepane
Names & synonyms
1-[2-(4-iodophenoxy)ethyl]azepane1H-Azepine, hexahydro-1-[2-(4-iodophenoxy)ethyl]-553681-55-3SCHEMBL4708977DTXSID00358437UPCMLD0ENAT5770370:001
Database identifiers
- CAS
553681-55-3- PubChem CID
- 894948
- DTXSID
DTXSID00358437
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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