| CAS Number | 1628167-50-9 |
| Catalog Number | AG01BHG1 |
| Chemical Name | [2-(2-tert-butylphenoxy)ethyl](methyl)amine hydrochloride |
| IUPAC Name | 2-(2-tert-butylphenoxy)-N-methylethanamine;hydrochloride |
| InChI | InChI=1S/C13H21NO.ClH/c1-13(2,3)11-7-5-6-8-12(11)15-10-9-14-4;/h5-8,14H,9-10H2,1-4H3;1H |
| InChI Key | MACSRLXIWPZDRX-UHFFFAOYSA-N |
| MDL Number | MFCD28139616 |
| Molecular Formula | C13H22ClNO |
| Molecular Weight | 243.7729 |
| SMILES | Cl.CNCCOC1=C(C(C)(C)C)C=CC=C1 |
| Synonyms | [2-(2-tert-butylphenoxy)ethyl](methyl)amine hydrochloride,
1628167-50-9,
SCHEMBL16095165,
MACSRLXIWPZDRX-UHFFFAOYSA-N,
Z1956828583,
2-(2-(Tert-butyl)phenoxy)-N-methylethanamine Hydrochloride,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.775g/mol |
| Monoisotopic Mass | 243.139g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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