Basic information
- CAS
7152-20-7- Standard SMILES
N#CC(c1ccccc1)c1ccc(N(CCO)CCO)cc1- InChIKey
BIQSIKWEDLDHDE-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- {4-[Bis(2-hydroxyethyl)amino]phenyl}(phenyl)acetonitrile
- IUPAC
- 2-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-phenylacetonitrile
Names & synonyms
7152-20-7NSC 67133{4-[bis(2-hydroxyethyl)amino]phenyl}(phenyl)acetonitrileNSC67133DTXSID40290165NSC-67133DS-0038592-[4-(bis(2-hydroxyethyl)amino)phenyl]-2-phenyl-acetonitrile
Database identifiers
- CAS
7152-20-7- PubChem CID
- 249148
- DTXSID
DTXSID40290165
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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