| CAS Number | 1249670-98-1 |
| Catalog Number | AG01AGW2 |
| Chemical Name | 5-Amino-2-methyl-N-(propan-2-yl)benzamide |
| IUPAC Name | 5-amino-2-methyl-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C11H16N2O/c1-7(2)13-11(14)10-6-9(12)5-4-8(10)3/h4-7H,12H2,1-3H3,(H,13,14) |
| InChI Key | FESCAHLAXMOLCH-UHFFFAOYSA-N |
| MDL Number | MFCD14618166 |
| Molecular Formula | C11H16N2O |
| Molecular Weight | 192.2575 |
| SMILES | CC1=C(C=C(C=C1)N)C(=O)NC(C)C |
| Synonyms | 5-amino-2-methyl-N-(propan-2-yl)benzamide,
1249670-98-1,
AC1Q1Q60,
ZINC41031614,
AKOS008146263,
MCULE-1513410340,
NE15796,
EN300-73026,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.262g/mol |
| Monoisotopic Mass | 192.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number