| CAS Number | 7117-18-2 |
| Catalog Number | AG01BBT7(AGN-PC-01ZS7G) |
| Chemical Name | N-methyl-2-(propan-2-yl)aniline |
| IUPAC Name | N-methyl-2-propan-2-ylaniline |
| InChI | InChI=1S/C10H15N/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8,11H,1-3H3 |
| InChI Key | SRDCXRIXVSRXMS-UHFFFAOYSA-N |
| MDL Number | MFCD09999703 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | CC(C1=CC=CC=C1NC)C |
| Synonyms | 2-ISOPROPYL-N-METHYLANILINE,
7117-18-2,
N-methyl-2-(propan-2-yl)aniline,
SCHEMBL2737240,
CTK6I4934,
ZINC19737658,
AKOS000256329,
2-Isopropyl-N-methylaniline, AldrichCPR,
TR-054224,
BB 0252024,
Z-1025,
Z1403323733,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.237g/mol |
| Monoisotopic Mass | 149.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number