| CAS Number | 1415303-39-7 |
| Catalog Number | AG01C1RU |
| Chemical Name | (1S)-1-(4-tert-Butylphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | (1S)-1-(4-tert-butylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C12H19N.ClH/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;/h5-9H,13H2,1-4H3;1H/t9-;/m0./s1 |
| InChI Key | WQCMEXXHUOHNLP-FVGYRXGTSA-N |
| MDL Number | MFCD24424407 |
| Molecular Formula | C12H20ClN |
| Molecular Weight | 213.7469 |
| SMILES | C[C@@H](C1=CC=C(C(C)(C)C)C=C1)N.[H]Cl |
| Synonyms | (1S)-1-(4-tert-butylphenyl)ethan-1-amine hydrochloride,
1415303-39-7,
(s)-1-(4-(t-butyl)phenyl)ethan-1-amine hydrochloride,
(1S)-1-(4-TERT-BUTYLPHENYL)ETHAN-1-AMINEHYDROCHLORIDE,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.749g/mol |
| Monoisotopic Mass | 213.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number