| CAS Number | 17399-32-5 |
| Catalog Number | AG01EJDN(AGN-PC-0JR44S) |
| Chemical Name | 3-(Phenoxymethyl)aniline hydrochloride |
| IUPAC Name | 3-(phenoxymethyl)aniline;hydrochloride |
| InChI | InChI=1S/C13H13NO.ClH/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13;/h1-9H,10,14H2;1H |
| InChI Key | WLAZNPAWGOJNRG-UHFFFAOYSA-N |
| MDL Number | MFCD31559833 |
| Molecular Formula | C13H14ClNO |
| Molecular Weight | 235.7094 |
| NSC Number | 211768 |
| SMILES | Cl.NC1=CC(COC2=CC=CC=C2)=CC=C1 |
| Synonyms | 17399-32-5,
NSC211768,
3-(phenoxymethyl)aniline hydrochloride,
NSC-211768,
3-(phenoxymethyl)aniline,hydrochloride,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.711g/mol |
| Monoisotopic Mass | 235.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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