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15118-60-2

15118-60-2 | Benzenebutanoic acid, 4-amino-

CAS No: 15118-60-2 Catalog No: AG001N5I MDL No:MFCD00075052

Product Description

Catalog Number:
AG001N5I
Chemical Name:
Benzenebutanoic acid, 4-amino-
CAS Number:
15118-60-2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00075052
IUPAC Name:
4-(4-aminophenyl)butanoic acid
InChI:
InChI=1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13)
InChI Key:
RBHLFWNKEWLHBP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc(cc1)N
NSC Number:
27531

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Synthesis of tetrahydronaphthalene lignan esters by intramolecular cyclization of ethyl p-azidophenyl-2-phenylalkanoates and evaluation of the growth inhibition of human tumor cell lines. Journal of medicinal chemistry 20110512
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. Journal of medicinal chemistry 20110113
Efficacy of butyrate analogues in HT-29 cancer cells. Clinical and experimental pharmacology & physiology 20100401
Electroanalytical sensors and devices for multiplexed detection of foodborne pathogen microorganisms. Sensors (Basel, Switzerland) 20090101
Enhancement of electrochemical signal on gold electrodes by polyvalent esterase-dendrimer clusters. Bioconjugate chemistry 20081201
Esterase 2-oligodeoxynucleotide conjugates as sensitive reporter for electrochemical detection of nucleic acid hybridization. Biosensors & bioelectronics 20070315

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