| CAS Number | 54837-93-3 |
| Catalog Number | AG01AY4B(AGN-PC-0017MI) |
| Chemical Name | 4-methyl-N-(2-methylpropyl)aniline |
| IUPAC Name | 4-methyl-N-(2-methylpropyl)aniline |
| InChI | InChI=1S/C11H17N/c1-9(2)8-12-11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3 |
| InChI Key | WZWNIVYQWJRDQX-UHFFFAOYSA-N |
| MDL Number | MFCD11147194 |
| Molecular Formula | C11H17N |
| Molecular Weight | 163.2594 |
| SMILES | CC(CNC1=CC=C(C)C=C1)C |
| Synonyms | N-Isobutyl-4-methylaniline,
4-methyl-N-(2-methylpropyl)aniline,
54837-93-3,
N-(p-tolyl)-iso-butylamine,
N-isobutyl-p-toluidine,
SCHEMBL7794063,
WZWNIVYQWJRDQX-UHFFFAOYSA-N,
ZINC19964386,
AKOS000242807,
Z1343161155,
|
| 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