| CAS Number | 1049751-46-3 |
| Catalog Number | AG019JCA |
| Chemical Name | 2-(Sec-butylamino)-n-[2-(trifluoromethyl)phenyl]acetamide hydrochloride |
| IUPAC Name | 2-(butan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride |
| InChI | InChI=1S/C13H17F3N2O.ClH/c1-3-9(2)17-8-12(19)18-11-7-5-4-6-10(11)13(14,15)16;/h4-7,9,17H,3,8H2,1-2H3,(H,18,19);1H |
| InChI Key | MLVYGKPFSCXVTE-UHFFFAOYSA-N |
| MDL Number | MFCD07287154 |
| Molecular Formula | C13H18ClF3N2O |
| Molecular Weight | 310.7430 |
| SMILES | Cl.CCC(NCC(NC1=C(C(F)(F)F)C=CC=C1)=O)C |
| Synonyms | 2-[(butan-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride,
1049751-46-3,
2-(sec-butylamino)-N-[2-(trifluoromethyl)phenyl]acetamide hydrochloride,
AC1Q39M9,
CTK6C9400,
MCULE-6995914674,
NE13492,
EN300-09078,
Z56969542,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.745g/mol |
| Monoisotopic Mass | 310.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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