| CAS Number | 1000538-58-8 |
| Catalog Number | AG01A5N6 |
| Chemical Name | 2-(3-tert-butylphenyl)ethan-1-amine |
| IUPAC Name | 2-(3-tert-butylphenyl)ethanamine |
| InChI | InChI=1S/C12H19N/c1-12(2,3)11-6-4-5-10(9-11)7-8-13/h4-6,9H,7-8,13H2,1-3H3 |
| InChI Key | XLZCRVKMGMIMER-UHFFFAOYSA-N |
| MDL Number | MFCD09924666 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | NCCC1=CC=CC(C(C)(C)C)=C1 |
| Synonyms | 2-(3-tert-butylphenyl)ethan-1-amine,
1000538-58-8,
SCHEMBL2911870,
ZINC44372737,
AKOS006314379,
MCULE-4932689256,
NE47043,
Z1632971428,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.291g/mol |
| Monoisotopic Mass | 177.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number