| CAS Number | 91552-65-7 |
| Catalog Number | AG01A24V(AGN-PC-00P95C) |
| Chemical Name | 2,5-Bis(propan-2-yl)aniline |
| IUPAC Name | 2,5-di(propan-2-yl)aniline |
| InChI | InChI=1S/C12H19N/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9H,13H2,1-4H3 |
| InChI Key | NBIUVZLUCMDFPH-UHFFFAOYSA-N |
| MDL Number | MFCD20691378 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | CC(C1=CC(N)=C(C(C)C)C=C1)C |
| Synonyms | 2,5-diisopropylaniline,
91552-65-7,
Oprea1_125023,
2,5-bis(propan-2-yl)aniline,
SCHEMBL2244195,
NBIUVZLUCMDFPH-UHFFFAOYSA-N,
Benzenamine, 2,5-bis(1-methylethyl)-,
Benzenamine, 2,5-bis(1-methylethyl),
N/A,
|
| Complexity | 151 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number