3-Cyanomethyl-1-benzhydryl azetidine

HCID 22257633CAS 162698-42-2

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

Related reactions

8 records

Linked notes

Loading…