| CAS Number | 59857-89-5 |
| Catalog Number | AG01B29D(AGN-PC-02S91Y) |
| Chemical Name | 1-tert-butyl-4-(hydroxymethyl)pyrrolidin-2-one |
| IUPAC Name | 1-tert-butyl-4-(hydroxymethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C9H17NO2/c1-9(2,3)10-5-7(6-11)4-8(10)12/h7,11H,4-6H2,1-3H3 |
| InChI Key | PNKQVVLPNVNTFP-UHFFFAOYSA-N |
| MDL Number | MFCD06804425 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | CC(N1C(=O)CC(CO)C1)(C)C |
| Synonyms | 1-tert-butyl-4-(hydroxymethyl)pyrrolidin-2-one,
59857-89-5,
SCHEMBL11626062,
AKOS013464070,
MCULE-3248694407,
NS-01402,
1-(tert-butyl)-4-(hydroxymethyl)pyrrolidin-2-one,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number