| CAS Number | 938764-12-6 |
| Catalog Number | AG01A97E |
| Chemical Name | N-tert-butylpyrrolidine-2-carboxamide |
| IUPAC Name | N-tert-butylpyrrolidine-2-carboxamide |
| InChI | InChI=1S/C9H18N2O/c1-9(2,3)11-8(12)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12) |
| InChI Key | BNUUSRSYNZFTBX-UHFFFAOYSA-N |
| MDL Number | MFCD09814989 |
| Molecular Formula | C9H18N2O |
| Molecular Weight | 170.2520 |
| SMILES | CC(NC(C1NCCC1)=O)(C)C |
| Synonyms | N-TERT-BUTYLPYRROLIDINE-2-CARBOXAMIDE,
938764-12-6,
ACMC-20msot,
SCHEMBL1983142,
CTK7F9259,
AKOS000166357,
AKOS023352007,
2-Pyrrolidinecarboxamide, N-(1,1-dimethylethyl),
2-Pyrrolidinecarboxamide, N-(1,1-dimethylethyl)-, (2S)-,
128018-18-8,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.256g/mol |
| Monoisotopic Mass | 170.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number