| CAS Number | 91797-84-1 |
| Catalog Number | AG00IGVX(AGN-PC-0OMYQX) |
| Chemical Name | 2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide |
| EC Number | 618-791-1 |
| IUPAC Name | 2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide |
| InChI | InChI=1S/C13H19NO/c1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4/h5-10H,1-4H3,(H,14,15)/t10-/m1/s1 |
| InChI Key | HBBKPRZFGXDWHG-SNVBAGLBSA-N |
| MDL Number | MFCD20230519 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | C[C@@H](NC(=O)C(C)(C)C)c1ccccc1 |
| Synonyms | 2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide,
91797-84-1,
AC1OCWGK,
Propanamide, 2,2-dimethyl-N-[(1R)-1-phenylethyl]-,
SCHEMBL2903965,
HBBKPRZFGXDWHG-SNVBAGLBSA-N,
ZINC409778,
MFCD20230519,
N-[(R)-alpha-Methylbenzyl]pivalamide,
AKOS013019014,
CS-0008768,
N-[(1R)-1-phenylethyl]-2,2-dimethylpropanamide,
(R)-N-(1-Phenylethyl)pivalamide,
ZINC00409777,
CID6951744,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number