[2-(1-Azepanylmethyl)phenyl]methanol
Basic information
- CAS
356539-02-1- Standard SMILES
OCc1ccccc1CN1CCCCCC1- InChIKey
JWNZOERCZGLXGZ-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- [2-(1-Azepanylmethyl)phenyl]methanol
- IUPAC
- [2-(azepan-1-ylmethyl)phenyl]methanol
- English name
- (2-Azepan-1-ylmethyl-phenyl)-methanol
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
356539-02-1[2-(azepan-1-ylmethyl)phenyl]methanol[2-(1-azepanylmethyl)phenyl]methanol(2-(Azepan-1-ylmethyl)phenyl)methanolMFCD03211257{2-[(azepan-1-yl)methyl]phenyl}methanol[2-(azaperhydroepinylmethyl)phenyl]methan-1-ol(2-AZEPAN-1-YLMETHYL-PHENYL)-METHANOLOprea1_431854AN-329/15535002MLS001179547DTXSID70356783
Show more names
AKOS BB/0122AKOS BBB/474CHEMBRDG-BB 4001115[2-(azepan-1-ylmethyl)phenyl]methanol(SALTDATA: FREE)Benzenemethanol, 2-[(hexahydro-1H-azepin-1-yl)methyl]-
HMS2806E06BBL023319SBB080054STK121062AKOS000319685SMR000477072VS-07394CS-0314854
Database identifiers
- CAS
356539-02-1- PubChem CID
- 832689
- DTXSID
DTXSID70356783
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 336.9 · 336.9±22.0 °C(Predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- pka
- 14.34 · 14.34±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…