| CAS Number | 157981-64-1 |
| Catalog Number | AG01A1RF(AGN-PC-00GJ7Y) |
| Chemical Name | 2-[4-(Tert-butoxy)phenyl]ethan-1-amine |
| IUPAC Name | 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine |
| InChI | InChI=1S/C12H19NO/c1-12(2,3)14-11-6-4-10(5-7-11)8-9-13/h4-7H,8-9,13H2,1-3H3 |
| InChI Key | GPKNHRSSJDAUGA-UHFFFAOYSA-N |
| MDL Number | MFCD08449651 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC(OC1=CC=C(CCN)C=C1)(C)C |
| Synonyms | 157981-64-1,
Benzeneethanamine, 4-(1,1-dimethylethoxy)-,
SCHEMBL1049645,
ZINC33424964,
AKOS013357555,
2-[4-(tert-butoxy)phenyl]ethan-1-amine,
BBV-38448506,
SC-57422,
EN300-114700,
BENZENEETHANAMINE,4-(1,1-DIMETHYLETHOXY)-,
CID11805585,
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number