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6830-78-0,MFCD00023646
Catalog No.:AA003IO0
6830-78-0 | 3,6-Diphenyl-1,2,4,5-tetrazine
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1g
95%
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$165.00   $115.00
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5g
95%
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$556.00   $389.00
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IO0
Chemical Name:
3,6-Diphenyl-1,2,4,5-tetrazine
CAS Number:
6830-78-0
Molecular Formula:
C14H10N4
Molecular Weight:
234.2560
MDL Number:
MFCD00023646
IUPAC Name:
3,6-diphenyl-1,2,4,5-tetrazine
InChI:
InChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H
InChI Key:
XAUWSIIGUUMHQQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc(nn1)c1ccccc1
UNII:
HEP1NA5YSD
NSC Number:
73054
Properties
Computed Properties
 
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.091g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.262g/mol
Monoisotopic Mass:
234.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3,6-Diphenyl-1,2,4,5-tetrazine 
6830-78-0 
NSC 73054 
3,6-Diphenyl-sym-tetrazine 
MLS000736800 
XAUWSIIGUUMHQQ-UHFFFAOYSA-N 
3,6-Diphenyl-1,2,4,5-tetrazine, 98% 
NSC73054 
ACMC-1BAEF 
Enamine_004961 
AC1L2LZA 
s-Tetrazine,6-diphenyl- 
Diphenyl-s-tetrazine 
NCIOpen2_003742 
CHEMBL17784 
diphenyl-1,2,4,5-tetrazine 
SCHEMBL3652642 
CTK8B2156 
DTXSID10218457 
HMS1408B11 
HMS2780N06 
ZINC350319 
1,4,5-Tetrazine, 3,6-diphenyl- 
3,6-Diphenyl-s-tetrazine 
ANW-35475 
MFCD00023646 
NSC-73054 
STK177320 
3,6-Diphenyl-1,2,4,5-tetraazine 
3,6-Diphenyl-[1,2,4,5]tetrazine 
AKOS000369904 
s-Tetrazine, 3,6-diphenyl- (8CI) 
MCULE-2427196575 
IDI1_007548 
3,6-Diphenyltetrazine 
3,6-Diphenyl-1,2,4,5-tetraazine # 
NCGC00246946-01 
SMR000447024 
ZB011060 
DB-055132 
LS-149030 
TC-124220 
D3175 
FT-0614772 
ST45236389 
1,2,4,5-TETRAZINE, 3,6-DIPHENYL- 
AF-215/00262032 
I14-49644 
Z56871597 
3,2,4,5-tetrazine 
C14H10N4 
CID23263 
C14-H10-N4 
s-Tetrazine, 2,6-diphenyl- 
s-Tetrazine, 3,6-diphenyl- 
HEP1NA5YSD 
UNII-HEP1NA5YSD 
Literature

Title: Synthesis, structure analysis, and antitumor activity of 3,6-disubstituted-1,4-dihydro-1,2,4,5-tetrazine derivatives.

Journal: Bioorganic & medicinal chemistry letters 20060715

Title: Synthesis and antitumor activity of s-tetrazine derivatives.

Journal: Bioorganic & medicinal chemistry letters 20040308

Title: Scandium ion-promoted reduction of heterocyclic N=N double bond. Hydride transfer vs electron transfer.

Journal: Journal of the American Chemical Society 20021023

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