Basic information
- CAS
383130-71-0- Standard SMILES
CCOc1ccc(CC2CCCCCN2)cc1- InChIKey
ZLOOCTOULCHHSZ-UHFFFAOYSA-N- Molecular formula
- C15H23NO
- Average molar mass
- 233.35 g/mol
- Monoisotopic mass
- 233.17796436
Names & identifiers
- Preferred name
- 2-[(4-Ethoxyphenyl)methyl]azepane
- IUPAC
- 2-[(4-ethoxyphenyl)methyl]azepane
- English name
- 2-[(4-ETHOXYPHENYL)METHYL]HEXAHYDRO-1H-AZEPINE
- Molecular formula
- C15H23NO
- Molecular weight
- 233.35
Names & synonyms
2-[(4-ethoxyphenyl)methyl]azepane2-(4-Ethoxybenzyl)azepane383130-71-0DTXSID903978902-[(4-ETHOXYPHENYL)METHYL]HEXAHYDRO-1H-AZEPINE1H-Azepine, 2-[(4-ethoxyphenyl)methyl]hexahydro-
Database identifiers
- CAS
383130-71-0- PubChem CID
- 3907976
- DTXSID
DTXSID90397890
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 344.5 · 344.5±17.0 °C(Predicted)
- Density
- 0.976 · 0.976±0.06 g/cm3(Predicted)
- pka
- 11.03 · 11.03±0.40(Predicted)
Chemistry & industry
Suppliers1 total
AlliChem, LLC[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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