4-(Morpholin-4-yl)-2,2-diphenylbutanenitrile
Basic information
- CAS
59882-09-6- Standard SMILES
N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1- InChIKey
DPKWJKWZGPRUPI-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- 4-(Morpholin-4-yl)-2,2-diphenylbutanenitrile
- IUPAC
- 4-morpholin-4-yl-2,2-diphenylbutanenitrile
Names & synonyms
59882-09-64-(morpholin-4-yl)-2,2-diphenylbutanenitrileDTXSID80281411RefChem:289206DTXCID402325654-morpholin-4-yl-2,2-diphenylbutanenitrilealpha,alpha-Diphenyl-4-morpholinebutanenitrileF0896-00224-(4-morpholinyl)-2,2-diphenylbutanenitrileNSC21587Oprea1_145755Oprea1_546295
Show more names
MLS001201598IFLab1_003914CHEMBL1881113HMS1423B20HMS2958D20SMSSF-0062165NSC-21587AKOS001025602
Database identifiers
- CAS
59882-09-6- PubChem CID
- 228568
- DTXSID
DTXSID80281411- ChEMBL
CHEMBL1881113
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Solubility43.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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