| CAS Number | 1269152-72-8 |
| Catalog Number | AG01AGU5 |
| Chemical Name | 2-(2-Tert-butylphenoxy)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(2-tert-butylphenoxy)ethanamine;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c1-12(2,3)10-6-4-5-7-11(10)14-9-8-13;/h4-7H,8-9,13H2,1-3H3;1H |
| InChI Key | NBWVWZJUUYORRA-UHFFFAOYSA-N |
| MDL Number | MFCD18380665 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | Cl.CC(C1=C(OCCN)C=CC=C1)(C)C |
| Synonyms | 1-(2-aminoethoxy)-2-tert-butylbenzene hydrochloride,
1269152-72-8,
2-(2-tert-butylphenoxy)ethan-1-amine hydrochloride,
MCULE-6774095524,
NE18183,
EN300-72856,
Z1266854871,
AC1Q38YP,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.123342g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.74g/mol |
| Monoisotopic Mass | 229.123342g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number