81-50-5,MFCD00001221
Catalog No.:AA003DUU

81-50-5 | 1-Amino-4-bromo-2-methylanthracene-9,10-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
99%
in stock  
$43.00   $30.00
- +
5g
99%
in stock  
$93.00   $65.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003DUU
Chemical Name:
1-Amino-4-bromo-2-methylanthracene-9,10-dione
CAS Number:
81-50-5
Molecular Formula:
C15H10BrNO2
Molecular Weight:
316.1494
MDL Number:
MFCD00001221
SMILES:
Brc1cc(C)c(c2c1C(=O)c1ccccc1C2=O)N
NSC Number:
401160
Properties
Computed Properties
 
Complexity:
411  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Literature

Title: Structure-activity relationships of anthraquinone derivatives derived from bromaminic acid as inhibitors of ectonucleoside triphosphate diphosphohydrolases (E-NTPDases).

Journal: Purinergic signalling 20090301

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Tags:81-50-5 Molecular Formula|81-50-5 MDL|81-50-5 SMILES|81-50-5 1-Amino-4-bromo-2-methylanthracene-9,10-dione
Catalog No.: AA003DUU
81-50-5,MFCD00001221
81-50-5 | 1-Amino-4-bromo-2-methylanthracene-9,10-dione
Pack Size: 1g
Purity: 99%
in stock
$43.00 $30.00
Pack Size: 5g
Purity: 99%
in stock
$93.00 $65.00
Quantity
- +
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Technical Information
Catalog Number: AA003DUU
Chemical Name: 1-Amino-4-bromo-2-methylanthracene-9,10-dione
CAS Number: 81-50-5
Molecular Formula: C15H10BrNO2
Molecular Weight: 316.1494
MDL Number: MFCD00001221
SMILES: Brc1cc(C)c(c2c1C(=O)c1ccccc1C2=O)N
NSC Number: 401160
Properties
Complexity: 411  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Literature fold

Title: Structure-activity relationships of anthraquinone derivatives derived from bromaminic acid as inhibitors of ectonucleoside triphosphate diphosphohydrolases (E-NTPDases).

Journal: Purinergic signalling20090301

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