| CAS Number | 537041-63-7 |
| Catalog Number | AG01BGTJ(AGN-PC-05DBTD) |
| Chemical Name | 4-ethyl-N-(2-methylpropyl)aniline |
| IUPAC Name | 4-ethyl-N-(2-methylpropyl)aniline |
| InChI | InChI=1S/C12H19N/c1-4-11-5-7-12(8-6-11)13-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3 |
| InChI Key | LABMSHZWRXZHSW-UHFFFAOYSA-N |
| MDL Number | MFCD11146046 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | CCC1=CC=C(NCC(C)C)C=C1 |
| Synonyms | 4-ethyl-N-(2-methylpropyl)aniline,
537041-63-7,
4-ethyl-N-isobutylaniline,
Benzenamine, 4-ethyl-N-(2-methylpropyl)-,
(4-Ethylphenyl)isobutylamine,
SCHEMBL14831872,
LABMSHZWRXZHSW-UHFFFAOYSA-N,
4-ethyl-N-(2-methylpropyl) aniline,
ZINC19955154,
AKOS000238493,
FT-0766717,
Z636497792,
4-ethyl-N-isobutylbenzenamine,
|
| Complexity | 123 |
| 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 | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number