1-Benzyl-3-phenylazetidine
Basic information
- CAS
7215-16-9- Standard SMILES
c1ccc(CN2CC(c3ccccc3)C2)cc1- InChIKey
DCZMBHDGZSZFKA-UHFFFAOYSA-N- Molecular formula
- C16H17N
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.13609955
Names & identifiers
- Preferred name
- 1-Benzyl-3-phenylazetidine
- IUPAC
- 1-benzyl-3-phenylazetidine
- English name
- 1-Benzyl-3-phenylazetidine
- Molecular formula
- C16H17N
- Molecular weight
- 223.31
Names & synonyms
1-Benzyl-3-phenylazetidine7215-16-9AZETIDINE, 1-BENZYL-3-PHENYL-L 2237BRN 1428449DTXSID60222483L-2237Azetidine, 3-phenyl-1-(phenylmethyl)-
Database identifiers
- CAS
7215-16-9- PubChem CID
- 23631
- DTXSID
DTXSID60222483- Nikkaji
- J84.663E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 187.5 · 187.5-188.5 °C(Solv: ethyl acetate (141-78-6); methanol (67-56-1))
- Boiling point
- 122 · 122-127 °C(Press: 0.4 Torr)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.22 · 8.22±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…