| CAS Number | 1251924-79-4 |
| Catalog Number | AG01AA9V |
| Chemical Name | 3-(4-Aminophenoxymethyl)benzonitrile hydrochloride |
| IUPAC Name | 3-[(4-aminophenoxy)methyl]benzonitrile;hydrochloride |
| InChI | InChI=1S/C14H12N2O.ClH/c15-9-11-2-1-3-12(8-11)10-17-14-6-4-13(16)5-7-14;/h1-8H,10,16H2;1H |
| InChI Key | PFODVHXLUCJTFY-UHFFFAOYSA-N |
| MDL Number | MFCD16990672 |
| Molecular Formula | C14H13ClN2O |
| Molecular Weight | 260.7188 |
| SMILES | Cl.NC1=CC=C(OCC2=CC(C#N)=CC=C2)C=C1 |
| Synonyms | 3-(4-aminophenoxymethyl)benzonitrile hydrochloride,
1251924-79-4,
EN300-67578,
AC1Q3CZ5,
AKOS025440228,
MCULE-4463411519,
NE21947,
3-[(4-aminophenoxy)methyl]benzonitrile hydrochloride,
Z1263602380,
|
| Complexity | 275 |
| 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