| CAS Number | 1021133-01-6 |
| Catalog Number | AG01A9KO |
| Chemical Name | 2,5-dimethyl-N-(propan-2-yl)aniline |
| IUPAC Name | 2,5-dimethyl-N-propan-2-ylaniline |
| InChI | InChI=1S/C11H17N/c1-8(2)12-11-7-9(3)5-6-10(11)4/h5-8,12H,1-4H3 |
| InChI Key | OERDRTFZTDBHHT-UHFFFAOYSA-N |
| MDL Number | MFCD11147290 |
| Molecular Formula | C11H17N |
| Molecular Weight | 163.2594 |
| SMILES | CC(NC1=C(C)C=CC(C)=C1)C |
| Synonyms | 2,5-dimethyl-N-(propan-2-yl)aniline,
1021133-01-6,
AC1Q1Q9Y,
SCHEMBL5300758,
ZINC19772189,
AKOS000241596,
MCULE-6077513629,
NE18198,
EN300-65347,
|
| Complexity | 131 |
| 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 | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number