| CAS Number | 4305-31-1 |
| Catalog Number | AG01A5PQ(AGN-PC-0ND1DQ) |
| Chemical Name | 6-(Dimethylamino)hexan-2-one |
| IUPAC Name | 6-(dimethylamino)hexan-2-one |
| InChI | InChI=1S/C8H17NO/c1-8(10)6-4-5-7-9(2)3/h4-7H2,1-3H3 |
| InChI Key | QEWONZQIQAAOGH-UHFFFAOYSA-N |
| MDL Number | MFCD12058287 |
| Molecular Formula | C8H17NO |
| Molecular Weight | 143.2267 |
| SMILES | CN(CCCCC(C)=O)C |
| Synonyms | 6-(dimethylamino)hexan-2-one,
4305-31-1,
6-dimethylamino-hexan-2-one,
6-(dimethylamino)-2-hexanone,
SCHEMBL2036849,
CHEMBL2448875,
ZINC34566737,
AKOS009979666,
NE24487,
6-dimethylaminohexan-2-one,
CID10931548,
|
| Complexity | 99.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.23g/mol |
| Monoisotopic Mass | 143.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number