| CAS Number | 103093-97-6 |
| Catalog Number | AG01AXFT(AGN-PC-00MRFE) |
| Chemical Name | 4-ethyl-N-(propan-2-yl)aniline |
| IUPAC Name | 4-ethyl-N-propan-2-ylaniline |
| InChI | InChI=1S/C11H17N/c1-4-10-5-7-11(8-6-10)12-9(2)3/h5-9,12H,4H2,1-3H3 |
| InChI Key | RXFIEKDCEQLLEH-UHFFFAOYSA-N |
| MDL Number | MFCD11146067 |
| Molecular Formula | C11H17N |
| Molecular Weight | 163.2594 |
| SMILES | CCC1=CC=C(NC(C)C)C=C1 |
| Synonyms | 4-Ethyl-N-isopropylaniline,
4-ethyl-N-(propan-2-yl)aniline,
103093-97-6,
SCHEMBL7767529,
ZINC19772313,
AKOS000238726,
Z266668684,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.264g/mol |
| Monoisotopic Mass | 163.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number