| CAS Number | 1955554-76-3 |
| Catalog Number | AG01B3ZB |
| Chemical Name | 1-[4-(1-phenylethoxy)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[4-(1-phenylethoxy)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C16H19NO.ClH/c1-12(17)14-8-10-16(11-9-14)18-13(2)15-6-4-3-5-7-15;/h3-13H,17H2,1-2H3;1H |
| InChI Key | MPKJZFGSYHCPKC-UHFFFAOYSA-N |
| MDL Number | MFCD29991763 |
| Molecular Formula | C16H20ClNO |
| Molecular Weight | 277.7891 |
| SMILES | Cl.CC(C1=CC=C(OC(C2=CC=CC=C2)C)C=C1)N |
| Synonyms | 1-[4-(1-phenylethoxy)phenyl]ethan-1-amine hydrochloride,
1955554-76-3,
Z2512942869,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.792g/mol |
| Monoisotopic Mass | 277.123g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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