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26216-56-8 | 9H-Purine-2,6-diamine, 8-methyl-
CAS No: 26216-56-8 Catalog No: AG002SAC MDL No:MFCD20707357
Product Description
Catalog Number:
AG002SAC
Chemical Name:
9H-Purine-2,6-diamine, 8-methyl-
CAS Number:
26216-56-8
Molecular Formula:
C6H8N6
Molecular Weight:
164.1679
MDL Number:
MFCD20707357
IUPAC Name:
8-methyl-7H-purine-2,6-diamine
InChI:
InChI=1S/C6H8N6/c1-2-9-3-4(7)11-6(8)12-5(3)10-2/h1H3,(H5,7,8,9,10,11,12)
InChI Key:
OFIKBTBTNDDTJK-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)[nH]c(n2)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
164.172g/mol
Monoisotopic Mass:
164.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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