| CAS Number | 946725-64-0 |
| Catalog Number | AG019XFK(AGN-PC-0WBX07) |
| Chemical Name | N-(3-amino-2-methylphenyl)butanamide |
| IUPAC Name | N-(3-amino-2-methylphenyl)butanamide |
| InChI | InChI=1S/C11H16N2O/c1-3-5-11(14)13-10-7-4-6-9(12)8(10)2/h4,6-7H,3,5,12H2,1-2H3,(H,13,14) |
| InChI Key | VPMRTJWYEAOSPM-UHFFFAOYSA-N |
| MDL Number | MFCD09805380 |
| Molecular Formula | C11H16N2O |
| Molecular Weight | 192.2575 |
| SMILES | CCCC(NC1=C(C)C(N)=CC=C1)=O |
| Synonyms | N-(3-amino-2-methylphenyl)butanamide,
946725-64-0,
AC1Q2UGG,
CTK6B3825,
ZINC8703430,
AKOS000101360,
MCULE-7930646476,
NE20032,
TR-048948,
EN300-54861,
N/A,
|
| Complexity | 194 |
| 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 | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number