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Home Amines 685543-77-5
685543-77-5,MFCD00185898
Catalog No.:AA00JGMN

685543-77-5 | (E)-4-(Benzylamino)-4-oxobut-2-enoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$45.00   $32.00
- +
250mg
95%
in stock  
$81.00   $57.00
- +
500mg
95%
in stock  
$114.00   $80.00
- +
1g
95%
in stock  
$161.00   $113.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00JGMN
Chemical Name:
(E)-4-(Benzylamino)-4-oxobut-2-enoic acid
CAS Number:
685543-77-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00185898
SMILES:
O=C(/C=C/C(=O)O)NCc1ccccc1
NSC Number:
166479
Properties
Computed Properties
 
Complexity:
255  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
0.7  

Literature

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

Title: Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives.

Journal: Journal of medicinal chemistry 20031218

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SDS
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Tags:685543-77-5 Molecular Formula|685543-77-5 MDL|685543-77-5 SMILES|685543-77-5 (E)-4-(Benzylamino)-4-oxobut-2-enoic acid