N-(1-Oxobutyl)-butanamide - CAS 4494-12-6

Catalog:	BB058487
Product Name:	N-(1-Oxobutyl)-butanamide
CAS:	4494-12-6
Synonyms:	Dibutyramide; N-Butyrylbutyramide

Technical Data

IUPAC Name:	N-butanoylbutanamide
Description:	N-(1-Oxobutyl)-butanamide is an intermediate used in the synthesis of 6-(Dibutylamino)-1,3,5-triazine-2,4-dithiol-d4 (D462764), which is a labelled form of 6-(Dibutylamino)-1,3,5-triazine-2,4-dithiol (D462763), which is a compound capable of electrochemical polymerization on magnesium alloy plates.
Molecular Weight:	157.21
Molecular Formula:	C8H15NO2
Canonical SMILES:	CCCC(=O)NC(=O)CCC
InChI:	InChI=1S/C8H15NO2/c1-3-5-7(10)9-8(11)6-4-2/h3-6H2,1-2H3,(H,9,10,11)
InChI Key:	HMZOTVUHCYDJMH-UHFFFAOYSA-N
Solubility:	Tetrahydrofuran
Appearance:	Off-white Solid
References:	Mori, K.; et al. Materials Science Forum, 350, 223 (2000)..

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.110278721
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.110278721
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7