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29602-15-1

29602-15-1 | 1,2-Ethanedione, 1,2-bis(4-aminophenyl)-

CAS No: 29602-15-1 Catalog No: AG002YUZ MDL No:

Product Description

Catalog Number:
AG002YUZ
Chemical Name:
1,2-Ethanedione, 1,2-bis(4-aminophenyl)-
CAS Number:
29602-15-1
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
1,2-bis(4-aminophenyl)ethane-1,2-dione
InChI:
InChI=1S/C14H12N2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H,15-16H2
InChI Key:
TYWAOIBYSDORAH-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccc(cc1)N)c1ccc(cc1)N
NSC Number:
121781

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
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

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