| CAS Number | 1311317-13-1 |
| Catalog Number | AG01AIQW |
| Chemical Name | 2-(1-phenylethoxy)aniline hydrochloride |
| IUPAC Name | 2-(1-phenylethoxy)aniline;hydrochloride |
| InChI | InChI=1S/C14H15NO.ClH/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15;/h2-11H,15H2,1H3;1H |
| InChI Key | TTXWKCCLQZXOTG-UHFFFAOYSA-N |
| MDL Number | MFCD18917380 |
| Molecular Formula | C14H16ClNO |
| Molecular Weight | 249.7359 |
| SMILES | Cl.CC(C1=CC=CC=C1)OC1=C(N)C=CC=C1 |
| Synonyms | 2-(1-phenylethoxy)aniline hydrochloride,
1311317-13-1,
NE22521,
EN300-78816,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.738g/mol |
| Monoisotopic Mass | 249.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number