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Home Other Building Blocks 7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS No.:
5878-61-5
Catalog Number:
AG00375L
Molecular Formula:
C9H11ClN4O2
Molecular Weight:
242.6622
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
98%(HPLC)
In Stock USA
United States
$119
- +
Product Description
Catalog Number:
AG00375L
Chemical Name:
7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS Number:
5878-61-5
Molecular Formula:
C9H11ClN4O2
Molecular Weight:
242.6622
MDL Number:
MFCD00005760
IUPAC Name:
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
InChI Key:
QCIARNIKNKKHFH-UHFFFAOYSA-N
SMILES:
ClCCn1cnc2c1c(=O)n(C)c(=O)n2C
EC Number:
227-553-2
UNII:
Y7202UN6B7
NSC Number:
337614
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.057g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.663g/mol
Monoisotopic Mass:
242.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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
Synthesis of molecularly imprinted polymer with 7-chloroethyl-theophylline-immobilized silica gel as template and its molecular recognition function. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040101
Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions. Journal of medicinal chemistry 20020523
Properties