CAS 2044-64-6 | Butanamide, N,N-dimethyl-3-oxo- | CAS Number 2044-64-6

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2044-64-6 | Butanamide, N,N-dimethyl-3-oxo-

CAS No: 2044-64-6 Catalog No: AG0029HG MDL No:MFCD00038243

Product Description

Catalog Number:

AG0029HG

Chemical Name:

Butanamide, N,N-dimethyl-3-oxo-

CAS Number:

2044-64-6

Molecular Formula:

C6H11NO2

Molecular Weight:

129.1570

MDL Number:

MFCD00038243

IUPAC Name:

N,N-dimethyl-3-oxobutanamide

InChI:

InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3

InChI Key:

YPEWWOUWRRQBAX-UHFFFAOYSA-N

SMILES:

CC(=O)CC(=O)N(C)C

EC Number:

218-059-8

UNII:

7E2L0OAA4K

NSC Number:

524755

Properties

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

129.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

129.159g/mol

Monoisotopic Mass:

129.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Disposition and metabolism of N,N-dimethylacetoacetamide in male F344 and Wistar-Han rats and female B6C3F1 mice.	Xenobiotica; the fate of foreign compounds in biological systems 20111101
Free radical reaction between 2-benzoyl-1,4-benzoquinones and 1,3-dicarbonyl compounds.	Organic & biomolecular chemistry 20091007
Reduction of ketones and alkyl iodides by SmI(2) and Sm(II)-HMPA complexes. Rate and mechanistic studies.	Journal of the American Chemical Society 20020619
Mechanistic study of beta-substituent effects on the mechanism of ketone reduction by SmI(2).	Journal of the American Chemical Society 20020605