| CAS Number | 1154945-89-7 |
| Catalog Number | AG01AJE5 |
| Chemical Name | 2-(4-aminophenyl)-N-(1-hydroxybutan-2-yl)acetamide |
| IUPAC Name | 2-(4-aminophenyl)-N-(1-hydroxybutan-2-yl)acetamide |
| InChI | InChI=1S/C12H18N2O2/c1-2-11(8-15)14-12(16)7-9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8,13H2,1H3,(H,14,16) |
| InChI Key | CWAMRZVAWRJAJD-UHFFFAOYSA-N |
| MDL Number | MFCD12183882 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | CCC(NC(CC1=CC=C(N)C=C1)=O)CO |
| Synonyms | 2-(4-aminophenyl)-N-(1-hydroxybutan-2-yl)acetamide,
1154945-89-7,
AKOS008132198,
MCULE-9348540536,
NE25748,
EN300-80487,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.288g/mol |
| Monoisotopic Mass | 222.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number