| CAS Number | 291279-94-2 |
| Catalog Number | AG019H0L |
| Chemical Name | 4-[4-(2-methylbutan-2-yl)phenoxy]aniline hydrochloride |
| IUPAC Name | 4-[4-(2-methylbutan-2-yl)phenoxy]aniline;hydrochloride |
| InChI | InChI=1S/C17H21NO.ClH/c1-4-17(2,3)13-5-9-15(10-6-13)19-16-11-7-14(18)8-12-16;/h5-12H,4,18H2,1-3H3;1H |
| InChI Key | CRCKPOYIMQUXEB-UHFFFAOYSA-N |
| MDL Number | MFCD00428607 |
| Molecular Formula | C17H22ClNO |
| Molecular Weight | 291.8157 |
| SMILES | Cl.CCC(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C)C |
| Synonyms | 4-[4-(2-methylbutan-2-yl)phenoxy]aniline hydrochloride,
291279-94-2,
4-[4-(1,1-dimethylpropyl)phenoxy]aniline hydrochloride,
AC1Q39LS,
CTK6C8166,
MCULE-6732433087,
NE11468,
EN300-02096,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.819g/mol |
| Monoisotopic Mass | 291.139g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number