| CAS Number | 81346-71-6 |
| Catalog Number | AG0059QJ(AGN-PC-000QGP) |
| Chemical Name | 2-(4-(3-Amino-2-hydroxypropoxy)phenyl)acetamide |
| IUPAC Name | 2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide |
| InChI | InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15) |
| InChI Key | UWMXVJVTKRSOPW-UHFFFAOYSA-N |
| MDL Number | MFCD09839908 |
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.2563 |
| SMILES | NCC(O)COc1ccc(CC(=O)N)cc1 |
| Synonyms | 81346-71-6,
4-(3-AMINO-2-HYDROXYPROPOXY)PHENYLACETAMIDE,
atenolol-desisopropyl,
2-(4-(3-amino-2-hydroxypropoxy)phenyl)acetamide,
2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide,
Deisopropylatenolol,
CHEBI:83530,
CTK5E8723,
DTXSID10557479,
AKOS030255418,
FT-0661861,
2[4-(3-Amino-2-hydroxy-propoxy)-phenyl]-acetamide,
4-(3-amino-2-hydroxypropoxy)phenylacetamide, AldrichCPR,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.26g/mol |
| Monoisotopic Mass | 224.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 98.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number