Basic information
- Standard SMILES
N#CCC1CN(C(c2ccccc2)c2ccccc2)C1- InChIKey
LJQRIZHZZWBLOK-UHFFFAOYSA-N- Molecular formula
- C18H18N2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.14699858
Names & identifiers
- Preferred name
- 3-Cyanomethyl-1-benzhydryl azetidine
- IUPAC
- 2-(1-benzhydrylazetidin-3-yl)acetonitrile
Names & synonyms
3-cyanomethyl-1-benzhydryl azetidine162698-42-23-Azetidineacetonitrile, 1-(diphenylmethyl)-2-(1-benzhydrylazetidin-3-yl)acetonitrileSCHEMBL5968996LJQRIZHZZWBLOK-UHFFFAOYSA-NDTXSID0012557553-cyanomethyl-l-benzhydryl azetidine[1-(Diphenylmethyl)azetidin-3-yl]acetonitrile
Database identifiers
- CAS
162698-42-2- PubChem CID
- 22257633
- DTXSID
DTXSID001255755
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
8 records
Linked notes
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