(4-(2-(Azepan-1-yl)ethoxy)phenyl)methanol
Basic information
- CAS
223251-16-9- Standard SMILES
OCc1ccc(OCCN2CCCCCC2)cc1- InChIKey
ZKBHEOTYTUPXAY-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Names & identifiers
- Preferred name
- (4-(2-(Azepan-1-yl)ethoxy)phenyl)methanol
- IUPAC
- [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol
- English name
- (4-(2-(azepan-1-yl)ethoxy)phenyl)Methanol
- Molecular formula
- C15H23NO2
- Molecular weight
- 249.35
Names & synonyms
(4-(2-(azepan-1-yl)ethoxy)phenyl)methanol223251-16-9[4-[2-(azepan-1-yl)ethoxy]phenyl]methanolMFCD11046666{4-[2-(AZEPAN-1-YL)ETHOXY]PHENYL}METHANOLSCHEMBL227588DTXSID90431223ZKBHEOTYTUPXAY-UHFFFAOYSA-NAKOS015856547DS-9677[4-(2-azepan-1-ylethoxy)phenyl]methanolAC-27661
Show more names
Nebivolol Impurity 603-(4-(2-(azepan-1-yl)ethoxy)benzyl)4-(2-Azepan-1-ylethoxy)benzyl alcohol[4-[2-(1-azepanyl)ethoxy]phenyl]methanol4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]- benzeneMethanolBenzeneMethanol, 4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]-
CS-0008535F19744F461479
Database identifiers
- CAS
223251-16-9- PubChem CID
- 9816367
- DTXSID
DTXSID90431223
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 404 · 404.0±30.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.52 · 14.52±0.10(Predicted)
- Appearance
- Yellow to brown Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
3 records
Compound notes
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