| CAS Number | 1251922-75-4 |
| Catalog Number | AG01AA87 |
| Chemical Name | 1-{4-[(3-methylphenyl)methoxy]phenyl}ethan-1-amine hydrochloride |
| IUPAC Name | 1-[4-[(3-methylphenyl)methoxy]phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C16H19NO.ClH/c1-12-4-3-5-14(10-12)11-18-16-8-6-15(7-9-16)13(2)17;/h3-10,13H,11,17H2,1-2H3;1H |
| InChI Key | BZAPOARXXPSQIU-UHFFFAOYSA-N |
| MDL Number | MFCD16990663 |
| Molecular Formula | C16H20ClNO |
| Molecular Weight | 277.7891 |
| SMILES | Cl.CC(C1=CC=C(OCC2=CC(C)=CC=C2)C=C1)N |
| Synonyms | 1-{4-[(3-methylphenyl)methoxy]phenyl}ethan-1-amine hydrochloride,
1251922-75-4,
CHEMBL3498043,
AC1Q3980,
MCULE-4825282312,
NE16152,
EN300-67431,
Z1263602354,
|
| Complexity | 235 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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