| CAS Number | 1016750-22-3 |
| Catalog Number | AG019V16(AGN-PC-02MVGY) |
| Chemical Name | 2-{4-[(3-aminophenyl)methoxy]phenyl}acetonitrile |
| IUPAC Name | 2-[4-[(3-aminophenyl)methoxy]phenyl]acetonitrile |
| InChI | InChI=1S/C15H14N2O/c16-9-8-12-4-6-15(7-5-12)18-11-13-2-1-3-14(17)10-13/h1-7,10H,8,11,17H2 |
| InChI Key | LRBWIBWHERQMFA-UHFFFAOYSA-N |
| MDL Number | MFCD09811014 |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.2845 |
| SMILES | NC1=CC(COC2=CC=C(CC#N)C=C2)=CC=C1 |
| Synonyms | 2-{4-[(3-aminophenyl)methoxy]phenyl}acetonitrile,
1016750-22-3,
EN300-43438,
CTK7C9780,
ZINC19392316,
AKOS000159372,
MCULE-5324329407,
NE14495,
SEL10403690,
NCGC00326848-01,
AB01176325-03,
J-000472,
Z445129440,
AC1Q51NV,
2-(4-[(3-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 | 238.110613g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.28g/mol |
| Monoisotopic Mass | 238.110613g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number