| CAS Number | 908596-56-5 |
| Catalog Number | AG019O50 |
| Chemical Name | 2-(4-Tert-butylphenoxy)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(4-tert-butylphenoxy)ethanamine;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;/h4-7H,8-9,13H2,1-3H3;1H |
| InChI Key | GOYMAELPUBCHAB-UHFFFAOYSA-N |
| MDL Number | MFCD02667726 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | Cl.CC(C1=CC=C(OCCN)C=C1)(C)C |
| Synonyms | 1-(2-aminoethoxy)-4-tert-butylbenzene hydrochloride,
2-(4-tert-butylphenoxy)ethanamine hydrochloride,
908596-56-5,
2-(4-tert-butylphenoxy)ethan-1-amine hydrochloride,
AC1Q38YW,
AC1Q38YX,
MFCD02667726,
AKOS024326175,
MCULE-2453655938,
NE12122,
[2-(4-tert-butylphenoxy)ethyl]amine HCl,
EN300-12791,
Z85956789,
50634-73-6,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.748g/mol |
| Monoisotopic Mass | 229.123g/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