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4629-02-1

4629-02-1 | Hexadecanoylpiperidide

CAS No: 4629-02-1 Catalog No: AG0035XR MDL No:

Product Description

Catalog Number:
AG0035XR
Chemical Name:
Hexadecanoylpiperidide
CAS Number:
4629-02-1
Molecular Formula:
C21H41NO
Molecular Weight:
323.5563
IUPAC Name:
1-piperidin-1-ylhexadecan-1-one
InChI:
InChI=1S/C21H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)22-19-16-14-17-20-22/h2-20H2,1H3
InChI Key:
SBWUACYNOBUPAH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)N1CCCCC1
NSC Number:
60375

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.319g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.565g/mol
Monoisotopic Mass:
323.319g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9  

Literature

Title Journal
Synthesis and antituberculosis activity of new fatty acid amides. Bioorganic & medicinal chemistry letters 20100901

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