| CAS Number | 1170643-57-8 |
| Catalog Number | AG019MRP |
| Chemical Name | 3-[(3-aminophenoxy)methyl]benzonitrile hydrochloride |
| IUPAC Name | 3-[(3-aminophenoxy)methyl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C14H12N2O.ClH/c15-9-11-3-1-4-12(7-11)10-17-14-6-2-5-13(16)8-14;/h1-8H,10,16H2;1H |
| InChI Key | MYQIQSFHKQDFQP-UHFFFAOYSA-N |
| MDL Number | MFCD11099487 |
| Molecular Formula | C14H13ClN2O |
| Molecular Weight | 260.7188 |
| SMILES | Cl.NC1=CC(OCC2=CC(C#N)=CC=C2)=CC=C1 |
| Synonyms | 3-[(3-aminophenoxy)methyl]benzonitrile hydrochloride,
EN300-37072,
3-(3-aminophenoxymethyl)benzonitrile hydrochloride,
1170643-57-8,
AC1Q3CYD,
CTK7C8500,
AKOS008093572,
MCULE-7519471623,
NE28986,
Z1245537950,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.721g/mol |
| Monoisotopic Mass | 260.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number