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Heptanamide

CAS No.:
628-62-6
Catalog Number:
AG00373T
Molecular Formula:
C7H15NO
Molecular Weight:
129.2001
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Product Description
Catalog Number:
AG00373T
Chemical Name:
Heptanamide
CAS Number:
628-62-6
Molecular Formula:
C7H15NO
Molecular Weight:
129.2001
MDL Number:
MFCD00234367
IUPAC Name:
heptanamide
InChI:
InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)
InChI Key:
AEDIXYWIVPYNBI-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)N
UNII:
6QX6H3415T
NSC Number:
3819
Properties
Complexity:
81  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.115g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
129.203g/mol
Monoisotopic Mass:
129.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
'Meta elimination,' a diagnostic fragmentation in mass spectrometry. Journal of the American Society for Mass Spectrometry 20110901
Novel cell- and tissue-based assays for detecting misfolded and aggregated protein accumulation within aggresomes and inclusion bodies. Cell biochemistry and biophysics 20110701
Phase behavior of heptanamide adsorbed on a graphite substrate. Langmuir : the ACS journal of surfaces and colloids 20110104
DFT-based simulations of IR amide I' spectra for a small protein in solution. Comparison of explicit and empirical solvent models. The journal of physical chemistry. B 20101014
Potent anticonvulsant urea derivatives of constitutional isomers of valproic acid. Journal of medicinal chemistry 20071213
Structural elucidation of an unknown Simvastatin by-product in industrial synthesis starting from Lovastatin. Journal of pharmaceutical and biomedical analysis 20071130
Amide and ester derivatives of N3-(4-methoxyfumaroyl)-(S)-2,3-diaminopropanoic acid: the selective inhibitor of glucosamine-6-phosphate synthase. Bioorganic & medicinal chemistry 20010401
Properties