| CAS Number | 1016525-01-1 |
| Catalog Number | AG019V21 |
| Chemical Name | 2-{4-[(2-Aminophenyl)methoxy]phenyl}acetonitrile |
| IUPAC Name | 2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile |
| InChI | InChI=1S/C15H14N2O/c16-10-9-12-5-7-14(8-6-12)18-11-13-3-1-2-4-15(13)17/h1-8H,9,11,17H2 |
| InChI Key | KMSJZURABXHAFH-UHFFFAOYSA-N |
| MDL Number | MFCD09807358 |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.2845 |
| SMILES | NC1=C(COC2=CC=C(CC#N)C=C2)C=CC=C1 |
| Synonyms | 2-{4-[(2-aminophenyl)methoxy]phenyl}acetonitrile,
1016525-01-1,
EN300-43501,
AC1Q510Z,
CTK7C9781,
ZINC19399751,
AKOS000161544,
MCULE-5224609959,
NE14483,
SEL10402261,
NCGC00331239-01,
AB01324742-02,
Z449368986,
2-(4-[(2-aminophenyl)methoxy]phenyl)acetonitrile,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.29g/mol |
| Monoisotopic Mass | 238.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number