Home Deuterated Building Blocks 26351-03-1
26351-03-1,MFCD06656357
Catalog No.:AA00BEH7

26351-03-1 | CAFFEINE-D3 (1-METHYL-D3)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$63.00   $44.00
- +
5mg
≥98%
in stock  
$156.00   $109.00
- +
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Technical Information
Catalog Number:
AA00BEH7
Chemical Name:
CAFFEINE-D3 (1-METHYL-D3)
CAS Number:
26351-03-1
Molecular Formula:
C8H7D3N4O2
Molecular Weight:
197.2091
MDL Number:
MFCD06656357
SMILES:
O=c1n(C)c2ncn(c2c(=O)n1C([2H])([2H])[2H])C
Properties
Computed Properties
 
Complexity:
293  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Isotope Atom Count:
3  
XLogP3:
-0.1  

Literature
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SDS
Tags:26351-03-1 Molecular Formula|26351-03-1 MDL|26351-03-1 SMILES|26351-03-1 CAFFEINE-D3 (1-METHYL-D3)