| CAS Number | 893750-65-7 |
| Catalog Number | AG00J191(AGN-PC-0WB3GE) |
| Chemical Name | 1-tert-butyl-4-[(methylamino)methyl]pyrrolidin-2-one |
| IUPAC Name | 1-tert-butyl-4-(methylaminomethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H20N2O/c1-10(2,3)12-7-8(6-11-4)5-9(12)13/h8,11H,5-7H2,1-4H3 |
| InChI Key | QHCANGFDOHUVAH-UHFFFAOYSA-N |
| MDL Number | MFCD06804427 |
| Molecular Formula | C10H20N2O |
| Molecular Weight | 184.2786 |
| SMILES | N1(CC(CC1=O)CNC)C(C)(C)C |
| Synonyms | 893750-65-7,
1-Tert-Butyl-4-[(Methylamino)Methyl]-2-Pyrrolidinone,
1-tert-butyl-4-[(methylamino)methyl]pyrrolidin-2-one,
AC1Q418W,
ZX-CM003553,
FCH835948,
MFCD06804427,
AKOS006281650,
Y-2617,
1-(tert-Butyl)-4-((methylamino)methyl)pyrrolidin-2-one,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.283g/mol |
| Monoisotopic Mass | 184.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number