| CAS Number | 941133-97-7 |
| Catalog Number | AG019PPE |
| Chemical Name | 3-[Benzyl(chloroacetyl)amino]propanamide |
| IUPAC Name | 3-[benzyl-(2-chloroacetyl)amino]propanamide |
| InChI | InChI=1S/C12H15ClN2O2/c13-8-12(17)15(7-6-11(14)16)9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,16) |
| InChI Key | HTZRDTXZVGIYBX-UHFFFAOYSA-N |
| MDL Number | MFCD09396737 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | NC(CCN(C(CCl)=O)CC1=CC=CC=C1)=O |
| Synonyms | 3-(N-benzyl-2-chloroacetamido)propanamide,
3-[benzyl(chloroacetyl)amino]propanamide,
941133-97-7,
EN300-24642,
AC1Q4ZMO,
CTK6H4909,
ZINC12505033,
AKOS009096514,
FCH4895748,
MCULE-2985078980,
NE19362,
BBV-32041813,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number