| CAS Number | 227201-29-8 |
| Catalog Number | AG00IQ8S(AGN-PC-0WAVEN) |
| Chemical Name | 5-[(dimethylamino)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| IUPAC Name | 5-[(dimethylamino)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChI | InChI=1S/C9H15NO4/c1-9(2)13-7(11)6(5-10(3)4)8(12)14-9/h6H,5H2,1-4H3 |
| InChI Key | DKDPHIODDGUUAB-UHFFFAOYSA-N |
| MDL Number | MFCD02570817 |
| Molecular Formula | C9H15NO4 |
| Molecular Weight | 201.2197 |
| SMILES | O=C1(OC(OC(C1CN(C)C)=O)(C)C) |
| Synonyms | 5-[(dimethylamino)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione,
227201-29-8,
AC1LS2UN,
Oprea1_238019,
KS-00001YQN,
5-(dimethylaminomethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione,
ZINC20390116,
AKOS005099066,
6R-0273,
CID1481470,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.222g/mol |
| Monoisotopic Mass | 201.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number