| CAS Number | 824966-98-5 |
| Catalog Number | AG004ZGA(AGN-PC-02ZTJR) |
| Chemical Name | 4-tert-Butylpyrrolidin-2-one |
| IUPAC Name | 4-tert-butylpyrrolidin-2-one |
| InChI | InChI=1S/C8H15NO/c1-8(2,3)6-4-7(10)9-5-6/h6H,4-5H2,1-3H3,(H,9,10) |
| InChI Key | OFWOAFJRYDAAGI-UHFFFAOYSA-N |
| MDL Number | MFCD22412986 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.2108 |
| SMILES | CC(C1CC(=O)NC1)(C)C |
| Synonyms | 824966-98-5,
4-(tert-butyl)pyrrolidin-2-one,
4-tert-butylpyrrolidin-2-one,
2-Pyrrolidinone, 4-(1,1-dimethylethyl)-,
4-(t-Butyl)pyrrolidin-2-one,
4-tert-Butylpyrrolidine-2-one,
SCHEMBL8931418,
CTK3D9002,
DTXSID20609837,
MFCD22412986,
AKOS024048471,
MCULE-7283554407,
NE40617,
AS-43813,
F2147-3354,
Z1649677770,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.214g/mol |
| Monoisotopic Mass | 141.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^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