| CAS Number | 256353-78-3 |
| Catalog Number | AG00C26A(AGN-PC-0R1FLM) |
| Chemical Name | 1-[(2-hydroxyethyl)(methyl)amino]acetone |
| IUPAC Name | 1-[2-hydroxyethyl(methyl)amino]propan-2-one |
| InChI | InChI=1S/C6H13NO2/c1-6(9)5-7(2)3-4-8/h8H,3-5H2,1-2H3 |
| InChI Key | GRTIEUQWLHMBFD-UHFFFAOYSA-N |
| MDL Number | MFCD09971291 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| SMILES | O=C(C)CN(C)CCO |
| Synonyms | 256353-78-3,
1-((2-Hydroxyethyl)(methyl)amino)propan-2-one,
1-[(2-HYDROXYETHYL)(METHYL)AMINO]ACETONE,
1-[(2-Hydroxyethyl)(methyl)amino]propan-2-one,
2-Propanone, 1-[(2-hydroxyethyl)methylamino]- (9CI),
SCHEMBL14189531,
CTK8H8561,
DTXSID00612602,
MFCD09971291,
ZINC19092813,
AKOS008964298,
AJ-71920,
1-[Methyl(2-hydroxyethyl)amino]-2-propanone,
Y-6195,
2-Propanone,1-[ methylamino]-,
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| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.175g/mol |
| Monoisotopic Mass | 131.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number