| CAS Number | 879319-26-3 |
| Catalog Number | AG019P87 |
| Chemical Name | 2-chloro-N-[(4-methylphenyl)methyl]-N-propylacetamide |
| IUPAC Name | 2-chloro-N-[(4-methylphenyl)methyl]-N-propylacetamide |
| InChI | InChI=1S/C13H18ClNO/c1-3-8-15(13(16)9-14)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3 |
| InChI Key | GPHLNJCBIUGVPE-UHFFFAOYSA-N |
| MDL Number | MFCD08261049 |
| Molecular Formula | C13H18ClNO |
| Molecular Weight | 239.7411 |
| SMILES | CCCN(C(CCl)=O)CC1=CC=C(C)C=C1 |
| Synonyms | 2-chloro-N-[(4-methylphenyl)methyl]-N-propylacetamide,
879319-26-3,
2-chloro-N-(4-methylbenzyl)-N-propylacetamide,
AC1Q2XNY,
CTK6E3977,
ZINC8428173,
MFCD08261049,
AKOS001261063,
MCULE-9851678095,
NE38652,
EN300-22611,
2-Chloro-N-(4-methyl-benzyl)-N-propyl-acetamide,
ZINC08428173,
CID9533917,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.743g/mol |
| Monoisotopic Mass | 239.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number