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5429-28-7

5429-28-7 | 4-(Diethylamino)benzoic acid

CAS No: 5429-28-7 Catalog No: AG003K79 MDL No:MFCD00002538

Product Description

Catalog Number:
AG003K79
Chemical Name:
4-(Diethylamino)benzoic acid
CAS Number:
5429-28-7
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD00002538
IUPAC Name:
4-(diethylamino)benzoic acid
InChI:
InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChI Key:
LNYTUARMNSFFBE-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C(=O)O)CC
EC Number:
226-582-8
NSC Number:
14115

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Octa-butylbis[μ(2)-4-(diethyl-amino)-benzoato-κO:O']bis-[4-(diethyl-amino)-benzoato-κO]di-μ(3)-oxido-tetra-tin(IV). Acta crystallographica. Section E, Structure reports online 20110801
Tetra-kis[μ-4-(diethyl-amino)-benzoato-κO:O']bis-[(N,N-diethyl-nicotinamide-κN)cobalt(II)]. Acta crystallographica. Section E, Structure reports online 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Environment-sensitive behavior of fluorescent molecular rotors. Journal of biological engineering 20100101
Tetra-kis[μ-4-(diethyl-amino)benzoato-κO:O']bis-[(N,N-diethyl-nicotinamide-κN)zinc(II)]. Acta crystallographica. Section E, Structure reports online 20090801
catena-Poly[[[diaqua-bis[4-(diethyl-amino)benzoato-κO]manganese(II)]-μ-aqua] dihydrate]. Acta crystallographica. Section E, Structure reports online 20090701
Determination of indapamide in human serum using 96-well solid-phase extraction and high-performance liquid chromatography-tandem mass spectrometry (LC-MS/MS). Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20080701
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601

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