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Home Amines 112735-05-4
112735-05-4,MFCD01850800
Catalog No.:AA007SAX

112735-05-4 | 3-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxopropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
98%
3 weeks  
$181.00   $127.00
- +
100mg
98%
3 weeks  
$213.00   $149.00
- +
250mg
98%
3 weeks  
$256.00   $179.00
- +
500mg
98%
3 weeks  
$336.00   $235.00
- +
1g
98%
3 weeks  
$399.00   $279.00
- +
2.5g
98%
3 weeks  
$675.00   $473.00
- +
5g
98%
3 weeks  
$945.00   $662.00
- +
10g
98%
3 weeks  
$1,343.00   $940.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA007SAX
Chemical Name:
3-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxopropanenitrile
CAS Number:
112735-05-4
Molecular Formula:
C9H10N4O3
Molecular Weight:
222.2007
MDL Number:
MFCD01850800
SMILES:
N#CCC(=O)c1c(N)n(C)c(=O)n(c1=O)C
Properties
Computed Properties
 
Complexity:
457  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.7  

Literature

Title: Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, pi-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings.

Journal: Acta crystallographica. Section C, Crystal structure communications 20080301

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Tags:112735-05-4 Molecular Formula|112735-05-4 MDL|112735-05-4 SMILES|112735-05-4 3-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxopropanenitrile