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1904-98-9 | 2，6-Diaminopurine
CAS No: 1904-98-9 Catalog No: AG002EJP MDL No:MFCD00071537
Product Description
Catalog Number:
AG002EJP
Chemical Name:
2，6-Diaminopurine
CAS Number:
1904-98-9
Molecular Formula:
C5H6N6
Molecular Weight:
150.1413
MDL Number:
MFCD00071537
IUPAC Name:
7H-purine-2,6-diamine
InChI:
InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
InChI Key:
MSSXOMSJDRHRMC-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)[nH]cn2
EC Number:
217-605-2
UNII:
49P95BAU4Z
NSC Number:
743
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
150.145g/mol
Monoisotopic Mass:
150.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
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| Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(homophthalato-κO)nickel(II) tetrahydrate and the cobalt(II) analogue. | Acta crystallographica. Section C, Crystal structure communications 20110501 |
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