Home Amines 100139-54-6
100139-54-6,MFCD01310809
Catalog No.:AA000106
Benzoic acid, 4-(diethylamino)-, hydrazide | 100139-54-6
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000106
Chemical Name:
Benzoic acid, 4-(diethylamino)-, hydrazide
CAS Number:
100139-54-6
Molecular Formula:
C11H17N3O
Molecular Weight:
207.2722
MDL Number:
MFCD01310809
IUPAC Name:
4-(diethylamino)benzohydrazide
InChI:
InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChI Key:
PUNSOBLTEWFAMJ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C(=O)NN)CC
Properties
Computed Properties
 
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.137g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.277g/mol
Monoisotopic Mass:
207.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
4-(diethylamino)benzohydrazide 
100139-54-6 
MLS000878138 
SCHEMBL961379 
AC1M158R 
CHEMBL1358859 
CTK3J8579 
DTXSID90366369 
PUNSOBLTEWFAMJ-UHFFFAOYSA-N 
HMS1786N15 
HMS2731K15 
ALBB-002669 
4-(Diethylamino)benzhydrazide 
CS-B1392 
ZINC2574323 
7103AC 
BBL016647 
MFCD01310809 
SBB017768 
STK426092 
4-(diethylamino) benzenecarbohydrazide 
AKOS000116105 
MCULE-4301474989 
Benzoic acid, 4-(diethylamino)-, hydrazide 
Benzoic acid, p-diethylamino-, hydrazide 
Benzoic acid,4-(diethylamino)-,hydrazide 
SMR000377068 
FT-0676309 
ST50945109 
C-5878 
I01-13233 
Z56832298 
F8889-0583 
4-(Diethylamino)benzhydrazide, for HPLC derivatization, >=98.0% (HPLC) 
Benzoic acid,4-(diethylamino)-, hydrazide 
C11H17N3O 
ZINC02574323 
CID2063864 
diethyl(4-???phenyl)amine 
F02 
ACMC-1BOLC 
AC1Q2YZP 
Oprea1_494949 
Literature

Title: A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.

Journal: Journal of medicinal chemistry 20111124

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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