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139131-01-4 | 9H-Purin-6-amine, 9-(7,7-dimethyl-6,8-dioxaspiro[3.5]non-2-yl)-
CAS No: 139131-01-4 Catalog No: AG001ADC MDL No:
Product Description
Catalog Number:
AG001ADC
Chemical Name:
9H-Purin-6-amine, 9-(7,7-dimethyl-6,8-dioxaspiro[3.5]non-2-yl)-
CAS Number:
139131-01-4
Molecular Formula:
C14H19N5O2
Molecular Weight:
289.3330
IUPAC Name:
9-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)purin-6-amine
InChI:
InChI=1S/C14H19N5O2/c1-13(2)20-5-14(6-21-13)3-9(4-14)19-8-18-10-11(15)16-7-17-12(10)19/h7-9H,3-6H2,1-2H3,(H2,15,16,17)
InChI Key:
ZKDSSJCBNLPOMY-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1ncn2C1CC2(C1)COC(OC2)(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.339g/mol
Monoisotopic Mass:
289.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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