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22917-81-3 | 9H-Purin-6-amine, 9,9'-(1,6-hexanediyl)bis-
CAS No: 22917-81-3 Catalog No: AG002LI6 MDL No:
Product Description
Catalog Number:
AG002LI6
Chemical Name:
9H-Purin-6-amine, 9,9'-(1,6-hexanediyl)bis-
CAS Number:
22917-81-3
Molecular Formula:
C16H20N10
Molecular Weight:
352.3970
IUPAC Name:
9-[6-(6-aminopurin-9-yl)hexyl]purin-6-amine
InChI:
InChI=1S/C16H20N10/c17-13-11-15(21-7-19-13)25(9-23-11)5-3-1-2-4-6-26-10-24-12-14(18)20-8-22-16(12)26/h7-10H,1-6H2,(H2,17,19,21)(H2,18,20,22)
InChI Key:
GZSXAOIZHBUGGC-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1ncn2CCCCCCn1cnc2c1ncnc2N
NSC Number:
80501
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.187g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.406g/mol
Monoisotopic Mass:
352.187g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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