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CAS No.:
1411763-96-6
Catalog Number:
AG01DXCS
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DXCS
CAS Number:
1411763-96-6
MDL Number:
MFCD22574845
IUPAC Name:
3-iodo-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C12H17IN6/c1-18-4-2-8(3-5-18)6-19-12-9(10(13)17-19)11(14)15-7-16-12/h7-8H,2-6H2,1H3,(H2,14,15,16)
InChI Key:
JNQMKLDOOMLCNE-UHFFFAOYSA-N
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.056g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
372.214g/mol
Monoisotopic Mass:
372.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties