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Benzenebutanamide

CAS No.:
1199-98-0
Catalog Number:
AG000PUE
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$71
- +
5g
98%
1 week
United States
$149
- +
Product Description
Catalog Number:
AG000PUE
Chemical Name:
Benzenebutanamide
CAS Number:
1199-98-0
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD00089916
IUPAC Name:
4-phenylbutanamide
InChI:
InChI=1S/C10H13NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
InChI Key:
LEPWUMPXISBPIB-UHFFFAOYSA-N
SMILES:
NC(=O)CCCc1ccccc1
NSC Number:
97770
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Discovery of N-arylalkyl-3-hydroxy-4-oxo-3,4-dihydroquinazolin-2-carboxamide derivatives as HCV NS5B polymerase inhibitors. ChemMedChem 20120501
Examination of acylated 4-aminopiperidine-4-carboxylic acid residues in the phosphotyrosyl+1 position of Grb2 SH2 domain-binding tripeptides. Journal of medicinal chemistry 20070419
Properties