| CAS Number | 1909308-62-8 |
| Catalog Number | AG01C3JS |
| Chemical Name | 4-methyl-N-(2-methylpropyl)aniline hydrochloride |
| IUPAC Name | 4-methyl-N-(2-methylpropyl)aniline;hydrochloride |
| InChI | InChI=1S/C11H17N.ClH/c1-9(2)8-12-11-6-4-10(3)5-7-11;/h4-7,9,12H,8H2,1-3H3;1H |
| InChI Key | PRBVPANAYCSMOX-UHFFFAOYSA-N |
| MDL Number | MFCD29060489 |
| Molecular Formula | C11H18ClN |
| Molecular Weight | 199.7203 |
| SMILES | Cl.CC(CNC1=CC=C(C)C=C1)C |
| Synonyms | 4-methyl-N-(2-methylpropyl)aniline hydrochloride,
1909308-62-8,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.722g/mol |
| Monoisotopic Mass | 199.113g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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